[2-[(3-aminocarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 2-ethoxybenzoate

Systemtic Name: [2-[(3-aminocarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 2-ethoxybenzoate Openeye Name: [2-[(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-oxo-ethyl] 2-ethoxybenzoate CAS Name: 2-ethoxybenzoic acid [2-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] 2-ethoxybenzoate Traditional Name: 2-ethoxybenzoic acid [2-[(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-keto-ethyl] ester Formula: C20H22N2O5S MolecularWeight: 402.46408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C(=O)OCC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)N

Isomeric SMILES

CCOC1=CC=CC=C1C(=O)OCC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)N

InChI

InChI=1S/C20H22N2O5S/c1-2-26-14-9-5-3-7-12(14)20(25)27-11-16(23)22-19-17(18(21)24)13-8-4-6-10-15(13)28-19/h3,5,7,9H,2,4,6,8,10-11H2,1H3,(H2,21,24)(H,22,23)