methyl 2-[2-(1-benzofuran-2-ylcarbonylimino)-5,7-dimethyl-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[2-(1-benzofuran-2-ylcarbonylimino)-5,7-dimethyl-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[2-(benzofuran-2-carbonylimino)-5,7-dimethyl-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[2-benzofuranyl(oxo)methyl]imino-5,7-dimethyl-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-(1-benzofuran-2-carbonylimino)-5,7-dimethyl-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(benzofuran-2-carbonylimino)-5,7-dimethyl-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C21H18N2O4S MolecularWeight: 394.44362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)N(C(=NC(=O)C3=CC4=CC=CC=C4O3)S2)CC(=O)OC)C

Isomeric SMILES

CC1=CC(=C2C(=C1)N(C(=NC(=O)C3=CC4=CC=CC=C4O3)S2)CC(=O)OC)C

InChI

InChI=1S/C21H18N2O4S/c1-12-8-13(2)19-15(9-12)23(11-18(24)26-3)21(28-19)22-20(25)17-10-14-6-4-5-7-16(14)27-17/h4-10H,11H2,1-3H3