ethyl 2-(2-chloranyl-4-pyridin-4-yl-phenyl)carbonyl-3,3-bis(sulfanyl)prop-2-enoate

Systemtic Name: ethyl 2-(2-chloranyl-4-pyridin-4-yl-phenyl)carbonyl-3,3-bis(sulfanyl)prop-2-enoate Openeye Name: ethyl 2-[2-chloro-4-(4-pyridyl)benzoyl]-3,3-bis(sulfanyl)prop-2-enoate CAS Name: 2-[(2-chloro-4-pyridin-4-ylphenyl)-oxomethyl]-3,3-dimercapto-2-propenoic acid ethyl ester IUPAC Name: ethyl 2-(2-chloro-4-pyridin-4-ylbenzoyl)-3,3-bis(sulfanyl)prop-2-enoate Traditional Name: 2-[2-chloro-4-(4-pyridyl)benzoyl]-3,3-dimercapto-acrylic acid ethyl ester Formula: C17H14ClNO3S2 MolecularWeight: 379.88096

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14ClNO3S2/c1-2-22-16(21)14(17(23)24)15(20)12-4-3-11(9-13(12)18)10-5-7-19-8-6-10/h3-9,23-24H,2H2,1H3