6-[(2S)-2-(1,3-benzodioxol-5-yl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]-3-methoxy-cyclohexa-2,4-dien-1-one

Systemtic Name: 6-[(2S)-2-(1,3-benzodioxol-5-yl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]-3-methoxy-cyclohexa-2,4-dien-1-one Openeye Name: 6-[(2S)-2-(1,3-benzodioxol-5-yl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]-3-methoxy-cyclohexa-2,4-dien-1-one CAS Name: 6-[(2S)-2-(1,3-benzodioxol-5-yl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]-3-methoxy-1-cyclohexa-2,4-dienone IUPAC Name: 6-[(2S)-2-(1,3-benzodioxol-5-yl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]-3-methoxycyclohexa-2,4-dien-1-one Traditional Name: 6-[(2S)-2-(1,3-benzodioxol-5-yl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]-3-methoxy-cyclohexa-2,4-dien-1-one Formula: C23H19NO4S MolecularWeight: 405.46626

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=O)C(=C2CC(SC3=CC=CC=C3N2)C4=CC5=C(C=C4)OCO5)C=C1

Isomeric SMILES

COC1=CC(=O)C(=C2C[C@H](SC3=CC=CC=C3N2)C4=CC5=C(C=C4)OCO5)C=C1

InChI

InChI=1S/C23H19NO4S/c1-26-15-7-8-16(19(25)11-15)18-12-23(29-22-5-3-2-4-17(22)24-18)14-6-9-20-21(10-14)28-13-27-20/h2-11,23-24H,12-13H2,1H3/t23-/m0/s1