methyl 4-[2-[(2S)-2-methyl-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl]ethanoylamino]benzoate

Systemtic Name: methyl 4-[2-[(2S)-2-methyl-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-[(2S)-2-methyl-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]acetyl]amino]benzoate CAS Name: 4-[[2-[(2S)-2-methyl-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[(2S)-2-methyl-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[(2S)-4-keto-2-methyl-2,3-dihydro-1,5-benzothiazepin-5-yl]acetyl]amino]benzoic acid methyl ester Formula: C20H20N2O4S MolecularWeight: 384.4488

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)N(C2=CC=CC=C2S1)CC(=O)NC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

C[C@H]1CC(=O)N(C2=CC=CC=C2S1)CC(=O)NC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C20H20N2O4S/c1-13-11-19(24)22(16-5-3-4-6-17(16)27-13)12-18(23)21-15-9-7-14(8-10-15)20(25)26-2/h3-10,13H,11-12H2,1-2H3,(H,21,23)/t13-/m0/s1