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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)OCC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)OCC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)N

InChI

InChI=1S/C20H22N2O5S/c1-2-26-20(25)12-7-9-13(10-8-12)27-11-16(23)22-19-17(18(21)24)14-5-3-4-6-15(14)28-19/h7-10H,2-6,11H2,1H3,(H2,21,24)(H,22,23)