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

Systemtic Name: methyl 4-[(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-(phenylmethyl)carbamoyl]benzoate Openeye Name: methyl 4-[benzyl-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)carbamoyl]benzoate CAS Name: 4-[[(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-(phenylmethyl)amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[benzyl-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)carbamoyl]benzoate Traditional Name: 4-[benzyl-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)carbamoyl]benzoic acid methyl ester Formula: C25H22N2O4S MolecularWeight: 446.51818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)OC)N=C(S2)N(CC3=CC=CC=C3)C(=O)C4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

CC1=C2C(=C(C=C1)OC)N=C(S2)N(CC3=CC=CC=C3)C(=O)C4=CC=C(C=C4)C(=O)OC

InChI

InChI=1S/C25H22N2O4S/c1-16-9-14-20(30-2)21-22(16)32-25(26-21)27(15-17-7-5-4-6-8-17)23(28)18-10-12-19(13-11-18)24(29)31-3/h4-14H,15H2,1-3H3