ethyl 2-[(3,4-diethoxyphenyl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[(3,4-diethoxyphenyl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[(3,4-diethoxybenzoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[(3,4-diethoxyphenyl)-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(3,4-diethoxybenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(3,4-diethoxybenzoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C22H27NO5S MolecularWeight: 417.51848

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OCC)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OCC)OCC

InChI

InChI=1S/C22H27NO5S/c1-4-26-16-12-11-14(13-17(16)27-5-2)20(24)23-21-19(22(25)28-6-3)15-9-7-8-10-18(15)29-21/h11-13H,4-10H2,1-3H3,(H,23,24)