(3E)-6-methyl-3-[2-(4-methylphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]pyran-2,4-dione

Systemtic Name: (3E)-6-methyl-3-[2-(4-methylphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]pyran-2,4-dione Openeye Name: (3E)-6-methyl-3-[2-(p-tolyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]pyran-2,4-dione CAS Name: (3E)-6-methyl-3-[2-(4-methylphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]pyran-2,4-dione IUPAC Name: (3E)-6-methyl-3-[2-(4-methylphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]pyran-2,4-dione Traditional Name: (3E)-6-methyl-3-[2-(p-tolyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]pyran-2,4-quinone Formula: C22H19NO3S MolecularWeight: 377.45616

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2CC(=C3C(=O)C=C(OC3=O)C)NC4=CC=CC=C4S2

Isomeric SMILES

CC1=CC=C(C=C1)C2C/C(=C\3/C(=O)C=C(OC3=O)C)/NC4=CC=CC=C4S2

InChI

InChI=1S/C22H19NO3S/c1-13-7-9-15(10-8-13)20-12-17(21-18(24)11-14(2)26-22(21)25)23-16-5-3-4-6-19(16)27-20/h3-11,20,23H,12H2,1-2H3/b21-17+