methyl 7-methyl-5-oxidanylidene-4-phenyl-1,2-dihydro-3-benzothiepine-2-carboxylate

Systemtic Name: methyl 7-methyl-5-oxidanylidene-4-phenyl-1,2-dihydro-3-benzothiepine-2-carboxylate Openeye Name: methyl 7-methyl-5-oxo-4-phenyl-1,2-dihydro-3-benzothiepine-2-carboxylate CAS Name: 7-methyl-5-oxo-4-phenyl-1,2-dihydro-3-benzothiepin-2-carboxylic acid methyl ester IUPAC Name: methyl 7-methyl-5-oxo-4-phenyl-1,2-dihydro-3-benzothiepine-2-carboxylate Traditional Name: 5-keto-7-methyl-4-phenyl-1,2-dihydro-3-benzothiepin-2-carboxylic acid methyl ester Formula: C19H18O3S MolecularWeight: 326.40942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(CC(SC(C2=O)C3=CC=CC=C3)C(=O)OC)C=C1

Isomeric SMILES

CC1=CC2=C(CC(SC(C2=O)C3=CC=CC=C3)C(=O)OC)C=C1

InChI

InChI=1S/C19H18O3S/c1-12-8-9-14-11-16(19(21)22-2)23-18(17(20)15(14)10-12)13-6-4-3-5-7-13/h3-10,16,18H,11H2,1-2H3