ethyl 2-[(5-chloranylpyridin-2-yl)carbamothioylamino]-3-phenyl-propanoate

Systemtic Name: ethyl 2-[(5-chloranylpyridin-2-yl)carbamothioylamino]-3-phenyl-propanoate Openeye Name: ethyl 2-[(5-chloro-2-pyridyl)carbamothioylamino]-3-phenyl-propanoate CAS Name: 2-[[[(5-chloro-2-pyridinyl)amino]-sulfanylidenemethyl]amino]-3-phenylpropanoic acid ethyl ester IUPAC Name: ethyl 2-[(5-chloropyridin-2-yl)carbamothioylamino]-3-phenylpropanoate Traditional Name: 2-[(5-chloro-2-pyridyl)thiocarbamoylamino]-3-phenyl-propionic acid ethyl ester Formula: C17H18ClN3O2S MolecularWeight: 363.86172

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=CC=C1)NC(=S)NC2=NC=C(C=C2)Cl

Isomeric SMILES

CCOC(=O)C(CC1=CC=CC=C1)NC(=S)NC2=NC=C(C=C2)Cl

InChI

InChI=1S/C17H18ClN3O2S/c1-2-23-16(22)14(10-12-6-4-3-5-7-12)20-17(24)21-15-9-8-13(18)11-19-15/h3-9,11,14H,2,10H2,1H3,(H2,19,20,21,24)