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

Systemtic Name: 6-[(2S)-2-(2-methoxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]cyclohexa-2,4-dien-1-one Openeye Name: 6-[(2S)-2-(2-methoxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]cyclohexa-2,4-dien-1-one CAS Name: 6-[(2S)-2-(2-methoxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]-1-cyclohexa-2,4-dienone IUPAC Name: 6-[(2S)-2-(2-methoxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]cyclohexa-2,4-dien-1-one Traditional Name: 6-[(2S)-2-(2-methoxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]cyclohexa-2,4-dien-1-one Formula: C22H19NO2S MolecularWeight: 361.45676

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2CC(=C3C=CC=CC3=O)NC4=CC=CC=C4S2

Isomeric SMILES

COC1=CC=CC=C1[C@@H]2CC(=C3C=CC=CC3=O)NC4=CC=CC=C4S2

InChI

InChI=1S/C22H19NO2S/c1-25-20-12-6-3-9-16(20)22-14-18(15-8-2-5-11-19(15)24)23-17-10-4-7-13-21(17)26-22/h2-13,22-23H,14H2,1H3/t22-/m0/s1