methyl 2-methyl-4-(phenylazanylsulfanylcarbonylamino)-1H-pyrrole-3-carboxylate

Systemtic Name: methyl 2-methyl-4-(phenylazanylsulfanylcarbonylamino)-1H-pyrrole-3-carboxylate Openeye Name: methyl 4-(anilinosulfanylcarbonylamino)-2-methyl-1H-pyrrole-3-carboxylate CAS Name: 4-[[(anilinothio)-oxomethyl]amino]-2-methyl-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 4-(anilinosulfanylcarbonylamino)-2-methyl-1H-pyrrole-3-carboxylate Traditional Name: 4-[(anilinothio)carbonylamino]-2-methyl-1H-pyrrole-3-carboxylic acid methyl ester Formula: C14H15N3O3S MolecularWeight: 305.3522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CN1)NC(=O)SNC2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CC1=C(C(=CN1)NC(=O)SNC2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C14H15N3O3S/c1-9-12(13(18)20-2)11(8-15-9)16-14(19)21-17-10-6-4-3-5-7-10/h3-8,15,17H,1-2H3,(H,16,19)