ethyl 2-[2-[2-methyl-3,4-bis(oxidanylidene)-2H-pyridin-1-yl]ethyl-prop-2-ynyl-amino]-3-sulfanyl-propanoate

Systemtic Name: ethyl 2-[2-[2-methyl-3,4-bis(oxidanylidene)-2H-pyridin-1-yl]ethyl-prop-2-ynyl-amino]-3-sulfanyl-propanoate Openeye Name: ethyl 2-[2-(2-methyl-3,4-dioxo-2H-pyridin-1-yl)ethyl-prop-2-ynyl-amino]-3-sulfanyl-propanoate CAS Name: 3-mercapto-2-[2-(2-methyl-3,4-dioxo-2H-pyridin-1-yl)ethyl-prop-2-ynylamino]propanoic acid ethyl ester IUPAC Name: ethyl 2-[2-(2-methyl-3,4-dioxo-2H-pyridin-1-yl)ethyl-prop-2-ynylamino]-3-sulfanylpropanoate Traditional Name: 2-[2-(3,4-diketo-2-methyl-2H-pyridin-1-yl)ethyl-propargyl-amino]-3-mercapto-propionic acid ethyl ester Formula: C16H22N2O4S MolecularWeight: 338.42188

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CS)N(CCN1C=CC(=O)C(=O)C1C)CC#C

Isomeric SMILES

CCOC(=O)C(CS)N(CCN1C=CC(=O)C(=O)C1C)CC#C

InChI

InChI=1S/C16H22N2O4S/c1-4-7-18(13(11-23)16(21)22-5-2)10-9-17-8-6-14(19)15(20)12(17)3/h1,6,8,12-13,23H,5,7,9-11H2,2-3H3