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

Systemtic Name: ethyl 2-(7-chloranyl-1-methyl-10-oxidanylidene-4H-[1]benzothiepino[4,3-b]pyrrol-2-yl)ethanoate Openeye Name: ethyl 2-(7-chloro-1-methyl-10-oxo-4H-[1]benzothiepino[4,3-b]pyrrol-2-yl)acetate CAS Name: 2-(7-chloro-1-methyl-10-oxo-4H-[1]benzothiepino[4,3-b]pyrrol-2-yl)acetic acid ethyl ester IUPAC Name: ethyl 2-(7-chloro-1-methyl-10-oxo-4H-[1]benzothiepino[4,3-b]pyrrol-2-yl)acetate Traditional Name: 2-(7-chloro-10-keto-1-methyl-4H-[1]benzothiepino[4,3-b]pyrrol-2-yl)acetic acid ethyl ester Formula: C17H16ClNO3S MolecularWeight: 349.83184

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=CC2=C(N1C)C(=O)C3=C(C=C(C=C3)Cl)SC2

Isomeric SMILES

CCOC(=O)CC1=CC2=C(N1C)C(=O)C3=C(C=C(C=C3)Cl)SC2

InChI

InChI=1S/C17H16ClNO3S/c1-3-22-15(20)8-12-6-10-9-23-14-7-11(18)4-5-13(14)17(21)16(10)19(12)2/h4-7H,3,8-9H2,1-2H3