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

Systemtic Name: methyl 2-[2-(3-aminophenyl)carbonyloxybutanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C22H26N2O5S MolecularWeight: 430.51724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O5S/c1-4-16(29-21(26)13-6-5-7-14(23)11-13)19(25)24-20-18(22(27)28-3)15-9-8-12(2)10-17(15)30-20/h5-7,11-12,16H,4,8-10,23H2,1-3H3,(H,24,25)