(2R,3S)-2-(1,3-benzodioxol-5-yl)-7-chloranyl-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-3-carbonitrile

Systemtic Name: (2R,3S)-2-(1,3-benzodioxol-5-yl)-7-chloranyl-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-3-carbonitrile Openeye Name: (2R,3S)-2-(1,3-benzodioxol-5-yl)-7-chloro-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-3-carbonitrile CAS Name: (2R,3S)-2-(1,3-benzodioxol-5-yl)-7-chloro-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-3-carbonitrile IUPAC Name: (2R,3S)-2-(1,3-benzodioxol-5-yl)-7-chloro-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-3-carbonitrile Traditional Name: (2R,3S)-2-(1,3-benzodioxol-5-yl)-7-chloro-4-keto-3,5-dihydro-2H-1,5-benzothiazepine-3-carbonitrile Formula: C17H11ClN2O3S MolecularWeight: 358.79884

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3C(C(=O)NC4=C(S3)C=CC(=C4)Cl)C#N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)[C@H]3[C@H](C(=O)NC4=C(S3)C=CC(=C4)Cl)C#N

InChI

InChI=1S/C17H11ClN2O3S/c18-10-2-4-15-12(6-10)20-17(21)11(7-19)16(24-15)9-1-3-13-14(5-9)23-8-22-13/h1-6,11,16H,8H2,(H,20,21)/t11-,16+/m1/s1