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

Systemtic Name: ethyl 2-(2-chloranyl-4-pyridin-4-yl-phenyl)carbonyl-3,3-bis(methylsulfanyl)prop-2-enoate Openeye Name: ethyl 2-[2-chloro-4-(4-pyridyl)benzoyl]-3,3-bis(methylsulfanyl)prop-2-enoate CAS Name: 2-[(2-chloro-4-pyridin-4-ylphenyl)-oxomethyl]-3,3-bis(methylthio)-2-propenoic acid ethyl ester IUPAC Name: ethyl 2-(2-chloro-4-pyridin-4-ylbenzoyl)-3,3-bis(methylsulfanyl)prop-2-enoate Traditional Name: 2-[2-chloro-4-(4-pyridyl)benzoyl]-3,3-bis(methylthio)acrylic acid ethyl ester Formula: C19H18ClNO3S2 MolecularWeight: 407.93412

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18ClNO3S2/c1-4-24-18(23)16(19(25-2)26-3)17(22)14-6-5-13(11-15(14)20)12-7-9-21-10-8-12/h5-11H,4H2,1-3H3