[(1S)-1-(4-methoxyphenyl)-2-(3-methylbutylamino)-2-oxidanylidene-ethyl] thiophene-2-carboxylate

Systemtic Name: [(1S)-1-(4-methoxyphenyl)-2-(3-methylbutylamino)-2-oxidanylidene-ethyl] thiophene-2-carboxylate Openeye Name: [(1S)-2-(isopentylamino)-1-(4-methoxyphenyl)-2-oxo-ethyl] thiophene-2-carboxylate CAS Name: 2-thiophenecarboxylic acid [(1S)-1-(4-methoxyphenyl)-2-(3-methylbutylamino)-2-oxoethyl] ester IUPAC Name: [(1S)-1-(4-methoxyphenyl)-2-(3-methylbutylamino)-2-oxoethyl] thiophene-2-carboxylate Traditional Name: thiophene-2-carboxylic acid [(1S)-2-(isoamylamino)-2-keto-1-(4-methoxyphenyl)ethyl] ester Formula: C19H23NO4S MolecularWeight: 361.45522

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)C(C1=CC=C(C=C1)OC)OC(=O)C2=CC=CS2

Isomeric SMILES

CC(C)CCNC(=O)[C@H](C1=CC=C(C=C1)OC)OC(=O)C2=CC=CS2

InChI

InChI=1S/C19H23NO4S/c1-13(2)10-11-20-18(21)17(14-6-8-15(23-3)9-7-14)24-19(22)16-5-4-12-25-16/h4-9,12-13,17H,10-11H2,1-3H3,(H,20,21)/t17-/m0/s1