methyl 2-[6-acetamido-2-[(3-chloranyl-1-benzothiophen-2-yl)carbonylimino]-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[6-acetamido-2-[(3-chloranyl-1-benzothiophen-2-yl)carbonylimino]-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[6-acetamido-2-(3-chlorobenzothiophene-2-carbonyl)imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-acetamido-2-[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[6-acetamido-2-(3-chloro-1-benzothiophene-2-carbonyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-acetamido-2-(3-chlorobenzothiophene-2-carbonyl)imino-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C21H16ClN3O4S2 MolecularWeight: 473.95244

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)N(C(=NC(=O)C3=C(C4=CC=CC=C4S3)Cl)S2)CC(=O)OC

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)N(C(=NC(=O)C3=C(C4=CC=CC=C4S3)Cl)S2)CC(=O)OC

InChI

InChI=1S/C21H16ClN3O4S2/c1-11(26)23-12-7-8-14-16(9-12)31-21(25(14)10-17(27)29-2)24-20(28)19-18(22)13-5-3-4-6-15(13)30-19/h3-9H,10H2,1-2H3,(H,23,26)