methyl 2-(1-benzothiophen-3-ylcarbonylamino)-5-(diethylcarbamoyl)-4-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-(1-benzothiophen-3-ylcarbonylamino)-5-(diethylcarbamoyl)-4-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-(benzothiophene-3-carbonylamino)-5-(diethylcarbamoyl)-4-methyl-thiophene-3-carboxylate CAS Name: 2-[[1-benzothiophen-3-yl(oxo)methyl]amino]-5-[diethylamino(oxo)methyl]-4-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-(1-benzothiophene-3-carbonylamino)-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate Traditional Name: 2-(benzothiophene-3-carbonylamino)-5-(diethylcarbamoyl)-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C21H22N2O4S2 MolecularWeight: 430.54038

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=O)C2=CSC3=CC=CC=C32)C(=O)OC)C

Isomeric SMILES

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=O)C2=CSC3=CC=CC=C32)C(=O)OC)C

InChI

InChI=1S/C21H22N2O4S2/c1-5-23(6-2)20(25)17-12(3)16(21(26)27-4)19(29-17)22-18(24)14-11-28-15-10-8-7-9-13(14)15/h7-11H,5-6H2,1-4H3,(H,22,24)