ethyl 4-(4-ethoxyphenyl)-2-(prop-2-enylcarbamothioylamino)thiophene-3-carboxylate

Systemtic Name: ethyl 4-(4-ethoxyphenyl)-2-(prop-2-enylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: ethyl 2-(allylcarbamothioylamino)-4-(4-ethoxyphenyl)thiophene-3-carboxylate CAS Name: 4-(4-ethoxyphenyl)-2-[[(prop-2-enylamino)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-ethoxyphenyl)-2-(prop-2-enylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 2-(allylthiocarbamoylamino)-4-p-phenetyl-thiophene-3-carboxylic acid ethyl ester Formula: C19H22N2O3S2 MolecularWeight: 390.51958

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=CSC(=C2C(=O)OCC)NC(=S)NCC=C

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=CSC(=C2C(=O)OCC)NC(=S)NCC=C

InChI

InChI=1S/C19H22N2O3S2/c1-4-11-20-19(25)21-17-16(18(22)24-6-3)15(12-26-17)13-7-9-14(10-8-13)23-5-2/h4,7-10,12H,1,5-6,11H2,2-3H3,(H2,20,21,25)