(2R,4S)-7-methyl-5-oxidanylidene-4-phenyl-1,2-dihydro-3-benzothiepine-2-carboxylic acid

Systemtic Name: (2R,4S)-7-methyl-5-oxidanylidene-4-phenyl-1,2-dihydro-3-benzothiepine-2-carboxylic acid Openeye Name: (2R,4S)-7-methyl-5-oxo-4-phenyl-1,2-dihydro-3-benzothiepine-2-carboxylic acid CAS Name: (2R,4S)-7-methyl-5-oxo-4-phenyl-1,2-dihydro-3-benzothiepin-2-carboxylic acid IUPAC Name: (2R,4S)-7-methyl-5-oxo-4-phenyl-1,2-dihydro-3-benzothiepine-2-carboxylic acid Traditional Name: (2R,4S)-5-keto-7-methyl-4-phenyl-1,2-dihydro-3-benzothiepin-2-carboxylic acid Formula: C18H16O3S MolecularWeight: 312.38284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC2=C(C[C@@H](S[C@H](C2=O)C3=CC=CC=C3)C(=O)O)C=C1

InChI

InChI=1S/C18H16O3S/c1-11-7-8-13-10-15(18(20)21)22-17(16(19)14(13)9-11)12-5-3-2-4-6-12/h2-9,15,17H,10H2,1H3,(H,20,21)/t15-,17+/m1/s1