3-[(3S)-5-(2-chlorophenyl)-3-methyl-2-oxidanylidene-3,4-dihydrothieno[2,3-e][1,4]diazepin-7-yl]butanoic acid

Systemtic Name: 3-[(3S)-5-(2-chlorophenyl)-3-methyl-2-oxidanylidene-3,4-dihydrothieno[2,3-e][1,4]diazepin-7-yl]butanoic acid Openeye Name: 3-[(3S)-5-(2-chlorophenyl)-3-methyl-2-oxo-3,4-dihydrothieno[2,3-e][1,4]diazepin-7-yl]butanoic acid CAS Name: 3-[(3S)-5-(2-chlorophenyl)-3-methyl-2-oxo-3,4-dihydrothieno[2,3-e][1,4]diazepin-7-yl]butanoic acid IUPAC Name: 3-[(3S)-5-(2-chlorophenyl)-3-methyl-2-oxo-3,4-dihydrothieno[2,3-e][1,4]diazepin-7-yl]butanoic acid Traditional Name: 3-[(3S)-5-(2-chlorophenyl)-2-keto-3-methyl-3,4-dihydrothieno[2,3-e][1,4]diazepin-7-yl]butyric acid Formula: C18H17ClN2O3S MolecularWeight: 376.85718

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N=C2C(=C(N1)C3=CC=CC=C3Cl)C=C(S2)C(C)CC(=O)O

Isomeric SMILES

C[C@H]1C(=O)N=C2C(=C(N1)C3=CC=CC=C3Cl)C=C(S2)C(C)CC(=O)O

InChI

InChI=1S/C18H17ClN2O3S/c1-9(7-15(22)23)14-8-12-16(11-5-3-4-6-13(11)19)20-10(2)17(24)21-18(12)25-14/h3-6,8-10,20H,7H2,1-2H3,(H,22,23)/t9?,10-/m0/s1