[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxidanylidene-butan-2-yl] 3-pyrrol-1-ylthiophene-2-carboxylate

Systemtic Name: [(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxidanylidene-butan-2-yl] 3-pyrrol-1-ylthiophene-2-carboxylate Openeye Name: [(1S)-1-[(5-methylisoxazol-3-yl)carbamoyl]propyl] 3-pyrrol-1-ylthiophene-2-carboxylate CAS Name: 3-(1-pyrrolyl)-2-thiophenecarboxylic acid [(2S)-1-[(5-methyl-3-isoxazolyl)amino]-1-oxobutan-2-yl] ester IUPAC Name: [(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 3-pyrrol-1-ylthiophene-2-carboxylate Traditional Name: 3-pyrrol-1-ylthiophene-2-carboxylic acid [(1S)-1-[(5-methylisoxazol-3-yl)carbamoyl]propyl] ester Formula: C17H17N3O4S MolecularWeight: 359.39958

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NOC(=C1)C)OC(=O)C2=C(C=CS2)N3C=CC=C3

Isomeric SMILES

CC[C@@H](C(=O)NC1=NOC(=C1)C)OC(=O)C2=C(C=CS2)N3C=CC=C3

InChI

InChI=1S/C17H17N3O4S/c1-3-13(16(21)18-14-10-11(2)24-19-14)23-17(22)15-12(6-9-25-15)20-7-4-5-8-20/h4-10,13H,3H2,1-2H3,(H,18,19,21)/t13-/m0/s1