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

Systemtic Name: methyl 4-[(4-methylsulfonyl-1,3-benzothiazol-2-yl)-(2-thiophen-2-ylethyl)carbamoyl]benzoate Openeye Name: methyl 4-[(4-methylsulfonyl-1,3-benzothiazol-2-yl)-[2-(2-thienyl)ethyl]carbamoyl]benzoate CAS Name: 4-[[(4-methylsulfonyl-1,3-benzothiazol-2-yl)-(2-thiophen-2-ylethyl)amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(4-methylsulfonyl-1,3-benzothiazol-2-yl)-(2-thiophen-2-ylethyl)carbamoyl]benzoate Traditional Name: 4-[(4-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=CC=C4S(=O)(=O)C

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)N(CCC2=CC=CS2)C3=NC4=C(S3)C=CC=C4S(=O)(=O)C

InChI

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