methyl 4-[(4-methylsulfanyl-1,3-benzothiazol-2-yl)-(2-thiophen-2-ylethyl)carbamoyl]benzoate

Systemtic Name: methyl 4-[(4-methylsulfanyl-1,3-benzothiazol-2-yl)-(2-thiophen-2-ylethyl)carbamoyl]benzoate Openeye Name: methyl 4-[(4-methylsulfanyl-1,3-benzothiazol-2-yl)-[2-(2-thienyl)ethyl]carbamoyl]benzoate CAS Name: 4-[[[4-(methylthio)-1,3-benzothiazol-2-yl]-(2-thiophen-2-ylethyl)amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(4-methylsulfanyl-1,3-benzothiazol-2-yl)-(2-thiophen-2-ylethyl)carbamoyl]benzoate Traditional Name: 4-[[4-(methylthio)-1,3-benzothiazol-2-yl]-[2-(2-thienyl)ethyl]carbamoyl]benzoic acid methyl ester Formula: C23H20N2O3S3 MolecularWeight: 468.6115

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)N(CCC2=CC=CS2)C3=NC4=C(S3)C=CC=C4SC

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)N(CCC2=CC=CS2)C3=NC4=C(S3)C=CC=C4SC

InChI

InChI=1S/C23H20N2O3S3/c1-28-22(27)16-10-8-15(9-11-16)21(26)25(13-12-17-5-4-14-30-17)23-24-20-18(29-2)6-3-7-19(20)31-23/h3-11,14H,12-13H2,1-2H3