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

Systemtic Name: methyl 2-[2-(3-aminophenyl)carbonyloxypropanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[2-(3-aminobenzoyl)oxypropanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-[(3-aminophenyl)-oxomethoxy]-1-oxopropyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[2-(3-aminobenzoyl)oxypropanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[2-(3-aminobenzoyl)oxypropanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C20H22N2O5S MolecularWeight: 402.46408

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C2=C(S1)CCCC2)C(=O)OC)OC(=O)C3=CC(=CC=C3)N

Isomeric SMILES

CC(C(=O)NC1=C(C2=C(S1)CCCC2)C(=O)OC)OC(=O)C3=CC(=CC=C3)N

InChI

InChI=1S/C20H22N2O5S/c1-11(27-19(24)12-6-5-7-13(21)10-12)17(23)22-18-16(20(25)26-2)14-8-3-4-9-15(14)28-18/h5-7,10-11H,3-4,8-9,21H2,1-2H3,(H,22,23)