2-[(2S,3S)-8-chloranyl-2-(4-methoxyphenyl)-3-oxidanyl-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl]ethanenitrile

Systemtic Name: 2-[(2S,3S)-8-chloranyl-2-(4-methoxyphenyl)-3-oxidanyl-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl]ethanenitrile Openeye Name: 2-[(2S,3S)-8-chloro-3-hydroxy-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]acetonitrile CAS Name: 2-[(2S,3S)-8-chloro-3-hydroxy-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]acetonitrile IUPAC Name: 2-[(2S,3S)-8-chloro-3-hydroxy-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]acetonitrile Traditional Name: 2-[(2S,3S)-8-chloro-3-hydroxy-4-keto-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-5-yl]acetonitrile Formula: C18H15ClN2O3S MolecularWeight: 374.8413

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2C(C(=O)N(C3=C(S2)C=C(C=C3)Cl)CC#N)O

Isomeric SMILES

COC1=CC=C(C=C1)[C@H]2[C@H](C(=O)N(C3=C(S2)C=C(C=C3)Cl)CC#N)O

InChI

InChI=1S/C18H15ClN2O3S/c1-24-13-5-2-11(3-6-13)17-16(22)18(23)21(9-8-20)14-7-4-12(19)10-15(14)25-17/h2-7,10,16-17,22H,9H2,1H3/t16-,17+/m1/s1