[2-[[3-(ethylcarbamoyl)phenyl]amino]-2-oxidanylidene-ethyl] 3-methyl-1-benzothiophene-2-carboxylate

Systemtic Name: [2-[[3-(ethylcarbamoyl)phenyl]amino]-2-oxidanylidene-ethyl] 3-methyl-1-benzothiophene-2-carboxylate Openeye Name: [2-[3-(ethylcarbamoyl)anilino]-2-oxo-ethyl] 3-methylbenzothiophene-2-carboxylate CAS Name: 3-methyl-1-benzothiophene-2-carboxylic acid [2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 3-methyl-1-benzothiophene-2-carboxylate Traditional Name: 3-methylbenzothiophene-2-carboxylic acid [2-[3-(ethylcarbamoyl)anilino]-2-keto-ethyl] ester Formula: C21H20N2O4S MolecularWeight: 396.4595

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1=CC(=CC=C1)NC(=O)COC(=O)C2=C(C3=CC=CC=C3S2)C

Isomeric SMILES

CCNC(=O)C1=CC(=CC=C1)NC(=O)COC(=O)C2=C(C3=CC=CC=C3S2)C

InChI

InChI=1S/C21H20N2O4S/c1-3-22-20(25)14-7-6-8-15(11-14)23-18(24)12-27-21(26)19-13(2)16-9-4-5-10-17(16)28-19/h4-11H,3,12H2,1-2H3,(H,22,25)(H,23,24)