methyl 2-[6-acetamido-2-(1,3-benzothiazol-2-ylcarbonylimino)-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[6-acetamido-2-(1,3-benzothiazol-2-ylcarbonylimino)-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[6-acetamido-2-(1,3-benzothiazole-2-carbonylimino)-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-acetamido-2-[1,3-benzothiazol-2-yl(oxo)methyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[6-acetamido-2-(1,3-benzothiazole-2-carbonylimino)-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-acetamido-2-(1,3-benzothiazole-2-carbonylimino)-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C20H16N4O4S2 MolecularWeight: 440.49544

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)N(C(=NC(=O)C3=NC4=CC=CC=C4S3)S2)CC(=O)OC

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)N(C(=NC(=O)C3=NC4=CC=CC=C4S3)S2)CC(=O)OC

InChI

InChI=1S/C20H16N4O4S2/c1-11(25)21-12-7-8-14-16(9-12)30-20(24(14)10-17(26)28-2)23-18(27)19-22-13-5-3-4-6-15(13)29-19/h3-9H,10H2,1-2H3,(H,21,25)