ethyl 2-(ethoxycarbonylcarbamothioylamino)-4-phenyl-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 2-(ethoxycarbonylcarbamothioylamino)-4-phenyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 2-(ethoxycarbonylcarbamothioylamino)-4-phenyl-1H-pyrrole-3-carboxylate CAS Name: 2-[[(ethoxycarbonylamino)-sulfanylidenemethyl]amino]-4-phenyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(ethoxycarbonylcarbamothioylamino)-4-phenyl-1H-pyrrole-3-carboxylate Traditional Name: 2-(carbethoxythiocarbamoylamino)-4-phenyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C17H19N3O4S MolecularWeight: 361.41546

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC=C1C2=CC=CC=C2)NC(=S)NC(=O)OCC

Isomeric SMILES

CCOC(=O)C1=C(NC=C1C2=CC=CC=C2)NC(=S)NC(=O)OCC

InChI

InChI=1S/C17H19N3O4S/c1-3-23-15(21)13-12(11-8-6-5-7-9-11)10-18-14(13)19-16(25)20-17(22)24-4-2/h5-10,18H,3-4H2,1-2H3,(H2,19,20,22,25)