ethyl 2-[2-(3-aminophenyl)carbonyloxybutanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(3-aminophenyl)carbonyloxybutanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[2-(3-aminobenzoyl)oxybutanoylamino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-[(3-aminophenyl)-oxomethoxy]-1-oxobutyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(3-aminobenzoyl)oxybutanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[2-(3-aminobenzoyl)oxybutanoylamino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C23H28N2O5S MolecularWeight: 444.54382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N2O5S/c1-4-17(30-22(27)14-7-6-8-15(24)12-14)20(26)25-21-19(23(28)29-5-2)16-10-9-13(3)11-18(16)31-21/h6-8,12-13,17H,4-5,9-11,24H2,1-3H3,(H,25,26)