[2-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 3-(thiophen-3-ylcarbonylamino)propanoate

Systemtic Name: [2-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 3-(thiophen-3-ylcarbonylamino)propanoate Openeye Name: [2-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl] 3-(thiophene-3-carbonylamino)propanoate CAS Name: 3-[[oxo(3-thiophenyl)methyl]amino]propanoic acid [2-(1-cyclopropyl-2,5-dimethyl-3-pyrrolyl)-2-oxoethyl] ester IUPAC Name: [2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] 3-(thiophene-3-carbonylamino)propanoate Traditional Name: 3-(3-thenoylamino)propionic acid [2-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C19H22N2O4S MolecularWeight: 374.45398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2CC2)C)C(=O)COC(=O)CCNC(=O)C3=CSC=C3

Isomeric SMILES

CC1=CC(=C(N1C2CC2)C)C(=O)COC(=O)CCNC(=O)C3=CSC=C3

InChI

InChI=1S/C19H22N2O4S/c1-12-9-16(13(2)21(12)15-3-4-15)17(22)10-25-18(23)5-7-20-19(24)14-6-8-26-11-14/h6,8-9,11,15H,3-5,7,10H2,1-2H3,(H,20,24)