ethyl 4-(3,4-dimethoxyphenyl)-2-[3-(2-methylpropylamino)propanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4-(3,4-dimethoxyphenyl)-2-[3-(2-methylpropylamino)propanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-(3,4-dimethoxyphenyl)-2-[3-(isobutylamino)propanoylamino]thiophene-3-carboxylate CAS Name: 4-(3,4-dimethoxyphenyl)-2-[[3-(2-methylpropylamino)-1-oxopropyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(3,4-dimethoxyphenyl)-2-[3-(2-methylpropylamino)propanoylamino]thiophene-3-carboxylate Traditional Name: 4-(3,4-dimethoxyphenyl)-2-[3-(isobutylamino)propanoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C22H30N2O5S MolecularWeight: 434.549

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC(=C(C=C2)OC)OC)NC(=O)CCNCC(C)C

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC(=C(C=C2)OC)OC)NC(=O)CCNCC(C)C

InChI

InChI=1S/C22H30N2O5S/c1-6-29-22(26)20-16(15-7-8-17(27-4)18(11-15)28-5)13-30-21(20)24-19(25)9-10-23-12-14(2)3/h7-8,11,13-14,23H,6,9-10,12H2,1-5H3,(H,24,25)