methyl 4-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)-(2-thiophen-2-ylethyl)carbamoyl]benzoate

Systemtic Name: methyl 4-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)-(2-thiophen-2-ylethyl)carbamoyl]benzoate Openeye Name: methyl 4-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)-[2-(2-thienyl)ethyl]carbamoyl]benzoate CAS Name: 4-[[(6-methylsulfonyl-1,3-benzothiazol-2-yl)-(2-thiophen-2-ylethyl)amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)-(2-thiophen-2-ylethyl)carbamoyl]benzoate Traditional Name: 4-[(6-mesyl-1,3-benzothiazol-2-yl)-[2-(2-thienyl)ethyl]carbamoyl]benzoic acid methyl ester Formula: C23H20N2O5S3 MolecularWeight: 500.6103

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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=C(C=C4)S(=O)(=O)C

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)N(CCC2=CC=CS2)C3=NC4=C(S3)C=C(C=C4)S(=O)(=O)C

InChI

InChI=1S/C23H20N2O5S3/c1-30-22(27)16-7-5-15(6-8-16)21(26)25(12-11-17-4-3-13-31-17)23-24-19-10-9-18(33(2,28)29)14-20(19)32-23/h3-10,13-14H,11-12H2,1-2H3