ethyl 2-[(2-chloranylpyridin-3-yl)carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[(2-chloranylpyridin-3-yl)carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: ethyl 5-benzyl-2-[(2-chloro-3-pyridyl)carbamothioylamino]thiophene-3-carboxylate CAS Name: 2-[[[(2-chloro-3-pyridinyl)amino]-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-benzyl-2-[(2-chloropyridin-3-yl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[(2-chloro-3-pyridyl)thiocarbamoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C20H18ClN3O2S2 MolecularWeight: 431.95882

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NC3=C(N=CC=C3)Cl

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NC3=C(N=CC=C3)Cl

InChI

InChI=1S/C20H18ClN3O2S2/c1-2-26-19(25)15-12-14(11-13-7-4-3-5-8-13)28-18(15)24-20(27)23-16-9-6-10-22-17(16)21/h3-10,12H,2,11H2,1H3,(H2,23,24,27)