ethyl 2-(cyclopropylcarbamothioylamino)-4-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-(cyclopropylcarbamothioylamino)-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-(cyclopropylcarbamothioylamino)-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[(cyclopropylamino)-sulfanylidenemethyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(cyclopropylcarbamothioylamino)-4-phenylthiophene-3-carboxylate Traditional Name: 2-(cyclopropylthiocarbamoylamino)-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C17H18N2O2S2 MolecularWeight: 346.46702

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=S)NC3CC3

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=S)NC3CC3

InChI

InChI=1S/C17H18N2O2S2/c1-2-21-16(20)14-13(11-6-4-3-5-7-11)10-23-15(14)19-17(22)18-12-8-9-12/h3-7,10,12H,2,8-9H2,1H3,(H2,18,19,22)