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

Systemtic Name: methyl 4-[1,3-benzothiazol-2-yl(phenethyl)carbamoyl]benzoate Openeye Name: methyl 4-[1,3-benzothiazol-2-yl(phenethyl)carbamoyl]benzoate CAS Name: 4-[[1,3-benzothiazol-2-yl(phenethyl)amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[1,3-benzothiazol-2-yl(phenethyl)carbamoyl]benzoate Traditional Name: 4-[1,3-benzothiazol-2-yl(phenethyl)carbamoyl]benzoic acid methyl ester Formula: C24H20N2O3S MolecularWeight: 416.4922

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)N(CCC2=CC=CC=C2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)N(CCC2=CC=CC=C2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C24H20N2O3S/c1-29-23(28)19-13-11-18(12-14-19)22(27)26(16-15-17-7-3-2-4-8-17)24-25-20-9-5-6-10-21(20)30-24/h2-14H,15-16H2,1H3