methyl 4-[(4,7-dimethoxy-1,3-benzothiazol-2-yl)-(phenylmethyl)carbamoyl]benzoate

Systemtic Name: methyl 4-[(4,7-dimethoxy-1,3-benzothiazol-2-yl)-(phenylmethyl)carbamoyl]benzoate Openeye Name: methyl 4-[benzyl-(4,7-dimethoxy-1,3-benzothiazol-2-yl)carbamoyl]benzoate CAS Name: 4-[[(4,7-dimethoxy-1,3-benzothiazol-2-yl)-(phenylmethyl)amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[benzyl-(4,7-dimethoxy-1,3-benzothiazol-2-yl)carbamoyl]benzoate Traditional Name: 4-[benzyl-(4,7-dimethoxy-1,3-benzothiazol-2-yl)carbamoyl]benzoic acid methyl ester Formula: C25H22N2O5S MolecularWeight: 462.51758

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=C(C=C1)OC)SC(=N2)N(CC3=CC=CC=C3)C(=O)C4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

COC1=C2C(=C(C=C1)OC)SC(=N2)N(CC3=CC=CC=C3)C(=O)C4=CC=C(C=C4)C(=O)OC

InChI

InChI=1S/C25H22N2O5S/c1-30-19-13-14-20(31-2)22-21(19)26-25(33-22)27(15-16-7-5-4-6-8-16)23(28)17-9-11-18(12-10-17)24(29)32-3/h4-14H,15H2,1-3H3