methyl 5-[(2S)-2-[[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylphenyl]amino]propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: methyl 5-[(2S)-2-[[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylphenyl]amino]propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: methyl 5-[(2S)-2-[2-(2-amino-2-oxo-ethyl)sulfanylanilino]propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[(2S)-2-[2-[(2-amino-2-oxoethyl)thio]anilino]-1-oxopropyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 5-[(2S)-2-[2-(2-amino-2-oxoethyl)sulfanylanilino]propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[(2S)-2-[2-[(2-amino-2-keto-ethyl)thio]anilino]propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester Formula: C19H23N3O4S MolecularWeight: 389.46862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC)C)C(=O)C(C)NC2=CC=CC=C2SCC(=O)N

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)C)C(=O)[C@H](C)NC2=CC=CC=C2SCC(=O)N

InChI

InChI=1S/C19H23N3O4S/c1-10-16(19(25)26-4)11(2)22-17(10)18(24)12(3)21-13-7-5-6-8-14(13)27-9-15(20)23/h5-8,12,21-22H,9H2,1-4H3,(H2,20,23)/t12-/m0/s1