ethyl 4-[6-chloranyl-2-(ethoxycarbonylcarbamothioylamino)pyrimidin-4-yl]benzoate

Systemtic Name: ethyl 4-[6-chloranyl-2-(ethoxycarbonylcarbamothioylamino)pyrimidin-4-yl]benzoate Openeye Name: ethyl 4-[6-chloro-2-(ethoxycarbonylcarbamothioylamino)pyrimidin-4-yl]benzoate CAS Name: 4-[6-chloro-2-[[(ethoxycarbonylamino)-sulfanylidenemethyl]amino]-4-pyrimidinyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[6-chloro-2-(ethoxycarbonylcarbamothioylamino)pyrimidin-4-yl]benzoate Traditional Name: 4-[2-(carbethoxythiocarbamoylamino)-6-chloro-pyrimidin-4-yl]benzoic acid ethyl ester Formula: C17H17ClN4O4S MolecularWeight: 408.85928

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C2=CC(=NC(=N2)NC(=S)NC(=O)OCC)Cl

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)C2=CC(=NC(=N2)NC(=S)NC(=O)OCC)Cl

InChI

InChI=1S/C17H17ClN4O4S/c1-3-25-14(23)11-7-5-10(6-8-11)12-9-13(18)20-15(19-12)21-16(27)22-17(24)26-4-2/h5-9H,3-4H2,1-2H3,(H2,19,20,21,22,24,27)