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

Systemtic Name: methyl 4-[1,3-benzothiazol-2-yl-(phenylmethyl)carbamoyl]benzoate Openeye Name: methyl 4-[1,3-benzothiazol-2-yl(benzyl)carbamoyl]benzoate CAS Name: 4-[[1,3-benzothiazol-2-yl-(phenylmethyl)amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[1,3-benzothiazol-2-yl(benzyl)carbamoyl]benzoate Traditional Name: 4-[1,3-benzothiazol-2-yl(benzyl)carbamoyl]benzoic acid methyl ester Formula: C23H18N2O3S MolecularWeight: 402.46562

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)N(CC2=CC=CC=C2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)N(CC2=CC=CC=C2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C23H18N2O3S/c1-28-22(27)18-13-11-17(12-14-18)21(26)25(15-16-7-3-2-4-8-16)23-24-19-9-5-6-10-20(19)29-23/h2-14H,15H2,1H3