[(2R,3R)-8-methoxy-2-(4-methoxyphenyl)-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepin-3-yl] (2S)-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxylate

Systemtic Name: [(2R,3R)-8-methoxy-2-(4-methoxyphenyl)-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepin-3-yl] (2S)-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxylate Openeye Name: [(2R,3R)-8-methoxy-2-(4-methoxyphenyl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-3-yl] (2S)-1-(2-naphthylsulfonyl)pyrrolidine-2-carboxylate CAS Name: (2S)-1-(2-naphthalenylsulfonyl)-2-pyrrolidinecarboxylic acid [(2R,3R)-8-methoxy-2-(4-methoxyphenyl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-3-yl] ester IUPAC Name: [(2R,3R)-8-methoxy-2-(4-methoxyphenyl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-3-yl] (2S)-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxylate Traditional Name: (2S)-1-(2-naphthylsulfonyl)pyrrolidine-2-carboxylic acid [(2R,3R)-4-keto-8-methoxy-2-(4-methoxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-3-yl] ester Formula: C32H30N2O7S2 MolecularWeight: 618.7198

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2C(C(=O)NC3=C(S2)C=C(C=C3)OC)OC(=O)C4CCCN4S(=O)(=O)C5=CC6=CC=CC=C6C=C5

Isomeric SMILES

COC1=CC=C(C=C1)[C@@H]2[C@@H](C(=O)NC3=C(S2)C=C(C=C3)OC)OC(=O)[C@@H]4CCCN4S(=O)(=O)C5=CC6=CC=CC=C6C=C5

InChI

InChI=1S/C32H30N2O7S2/c1-39-23-12-9-21(10-13-23)30-29(31(35)33-26-16-14-24(40-2)19-28(26)42-30)41-32(36)27-8-5-17-34(27)43(37,38)25-15-11-20-6-3-4-7-22(20)18-25/h3-4,6-7,9-16,18-19,27,29-30H,5,8,17H2,1-2H3,(H,33,35)/t27-,29-,30+/m0/s1