ethyl (E)-2-(2-chloranylpyridin-3-yl)carbonyl-3-(thian-4-ylamino)prop-2-enoate

Systemtic Name: ethyl (E)-2-(2-chloranylpyridin-3-yl)carbonyl-3-(thian-4-ylamino)prop-2-enoate Openeye Name: ethyl (E)-2-(2-chloropyridine-3-carbonyl)-3-(tetrahydrothiopyran-4-ylamino)prop-2-enoate CAS Name: (E)-2-[(2-chloro-3-pyridinyl)-oxomethyl]-3-(4-thianylamino)-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-2-(2-chloropyridine-3-carbonyl)-3-(thian-4-ylamino)prop-2-enoate Traditional Name: (E)-2-(2-chloronicotinoyl)-3-(tetrahydrothiopyran-4-ylamino)acrylic acid ethyl ester Formula: C16H19ClN2O3S MolecularWeight: 354.85166

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CNC1CCSCC1)C(=O)C2=C(N=CC=C2)Cl

Isomeric SMILES

CCOC(=O)/C(=C/NC1CCSCC1)/C(=O)C2=C(N=CC=C2)Cl

InChI

InChI=1S/C16H19ClN2O3S/c1-2-22-16(21)13(10-19-11-5-8-23-9-6-11)14(20)12-4-3-7-18-15(12)17/h3-4,7,10-11,19H,2,5-6,8-9H2,1H3/b13-10+