(2S,3S)-8-cyclopentyloxy-2-(4-methoxyphenyl)-3-oxidanyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one

Systemtic Name: (2S,3S)-8-cyclopentyloxy-2-(4-methoxyphenyl)-3-oxidanyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one Openeye Name: (2S,3S)-8-(cyclopentoxy)-3-hydroxy-2-(4-methoxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one CAS Name: (2S,3S)-8-cyclopentyloxy-3-hydroxy-2-(4-methoxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one IUPAC Name: (2S,3S)-8-cyclopentyloxy-3-hydroxy-2-(4-methoxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one Traditional Name: (2S,3S)-8-(cyclopentoxy)-3-hydroxy-2-(4-methoxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one Formula: C21H23NO4S MolecularWeight: 385.47662

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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)OC4CCCC4)O

Isomeric SMILES

COC1=CC=C(C=C1)[C@H]2[C@H](C(=O)NC3=C(S2)C=C(C=C3)OC4CCCC4)O

InChI

InChI=1S/C21H23NO4S/c1-25-14-8-6-13(7-9-14)20-19(23)21(24)22-17-11-10-16(12-18(17)27-20)26-15-4-2-3-5-15/h6-12,15,19-20,23H,2-5H2,1H3,(H,22,24)/t19-,20+/m1/s1