ethyl 4-[[6-methyl-2-(propanoylamino)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]carbonylamino]benzoate

Systemtic Name: ethyl 4-[[6-methyl-2-(propanoylamino)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]carbonylamino]benzoate Openeye Name: ethyl 4-[[6-methyl-2-(propanoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carbonyl]amino]benzoate CAS Name: 4-[[[6-methyl-2-(1-oxopropylamino)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[6-methyl-2-(propanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl]amino]benzoate Traditional Name: 4-[(6-methyl-2-propionamido-4,5,6,7-tetrahydrobenzothiophene-3-carbonyl)amino]benzoic acid ethyl ester Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=C(C2=C(S1)CC(CC2)C)C(=O)NC3=CC=C(C=C3)C(=O)OCC

Isomeric SMILES

CCC(=O)NC1=C(C2=C(S1)CC(CC2)C)C(=O)NC3=CC=C(C=C3)C(=O)OCC

InChI

InChI=1S/C22H26N2O4S/c1-4-18(25)24-21-19(16-11-6-13(3)12-17(16)29-21)20(26)23-15-9-7-14(8-10-15)22(27)28-5-2/h7-10,13H,4-6,11-12H2,1-3H3,(H,23,26)(H,24,25)