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

Systemtic Name: methyl 2-[2-(3-aminophenyl)carbonyloxypropanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[2-(3-aminobenzoyl)oxypropanoylamino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-[(3-aminophenyl)-oxomethoxy]-1-oxopropyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[2-(3-aminobenzoyl)oxypropanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[2-(3-aminobenzoyl)oxypropanoylamino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C(C)OC(=O)C3=CC(=CC=C3)N

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C(C)OC(=O)C3=CC(=CC=C3)N

InChI

InChI=1S/C21H24N2O5S/c1-11-7-8-15-16(9-11)29-19(17(15)21(26)27-3)23-18(24)12(2)28-20(25)13-5-4-6-14(22)10-13/h4-6,10-12H,7-9,22H2,1-3H3,(H,23,24)