ethyl 5-[[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylphenyl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 5-[[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylphenyl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[[2-(2-amino-2-oxo-ethyl)sulfanylphenyl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[[2-[(2-amino-2-oxoethyl)thio]anilino]-oxomethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[[2-(2-amino-2-oxoethyl)sulfanylphenyl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[[2-[(2-amino-2-keto-ethyl)thio]phenyl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C18H21N3O4S MolecularWeight: 375.44204

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)NC2=CC=CC=C2SCC(=O)N)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)NC2=CC=CC=C2SCC(=O)N)C

InChI

InChI=1S/C18H21N3O4S/c1-4-25-18(24)15-10(2)16(20-11(15)3)17(23)21-12-7-5-6-8-13(12)26-9-14(19)22/h5-8,20H,4,9H2,1-3H3,(H2,19,22)(H,21,23)