2-(7-chloranyl-1-methyl-10-oxidanylidene-4H-[1]benzothiepino[4,3-b]pyrrol-2-yl)ethanoic acid

Systemtic Name: 2-(7-chloranyl-1-methyl-10-oxidanylidene-4H-[1]benzothiepino[4,3-b]pyrrol-2-yl)ethanoic acid Openeye Name: 2-(7-chloro-1-methyl-10-oxo-4H-[1]benzothiepino[4,3-b]pyrrol-2-yl)acetic acid CAS Name: 2-(7-chloro-1-methyl-10-oxo-4H-[1]benzothiepino[4,3-b]pyrrol-2-yl)acetic acid IUPAC Name: 2-(7-chloro-1-methyl-10-oxo-4H-[1]benzothiepino[4,3-b]pyrrol-2-yl)acetic acid Traditional Name: 2-(7-chloro-10-keto-1-methyl-4H-[1]benzothiepino[4,3-b]pyrrol-2-yl)acetic acid Formula: C15H12ClNO3S MolecularWeight: 321.77868

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC2=C1C(=O)C3=C(C=C(C=C3)Cl)SC2)CC(=O)O

Isomeric SMILES

CN1C(=CC2=C1C(=O)C3=C(C=C(C=C3)Cl)SC2)CC(=O)O

InChI

InChI=1S/C15H12ClNO3S/c1-17-10(6-13(18)19)4-8-7-21-12-5-9(16)2-3-11(12)15(20)14(8)17/h2-5H,6-7H2,1H3,(H,18,19)