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

Systemtic Name: [2-[(3-aminocarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 2-ethylsulfanylbenzoate Openeye Name: [2-[(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-oxo-ethyl] 2-ethylsulfanylbenzoate CAS Name: 2-(ethylthio)benzoic 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-ethylsulfanylbenzoate Traditional Name: 2-(ethylthio)benzoic acid [2-[(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-keto-ethyl] ester Formula: C20H22N2O4S2 MolecularWeight: 418.52968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC=CC=C1C(=O)OCC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)N

Isomeric SMILES

CCSC1=CC=CC=C1C(=O)OCC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)N

InChI

InChI=1S/C20H22N2O4S2/c1-2-27-14-9-5-4-8-13(14)20(25)26-11-16(23)22-19-17(18(21)24)12-7-3-6-10-15(12)28-19/h4-5,8-9H,2-3,6-7,10-11H2,1H3,(H2,21,24)(H,22,23)