methyl (E)-3-[(3-chloranyl-1H-indol-7-yl)amino]-2-cyano-3-sulfanyl-prop-2-enoate

Systemtic Name: methyl (E)-3-[(3-chloranyl-1H-indol-7-yl)amino]-2-cyano-3-sulfanyl-prop-2-enoate Openeye Name: methyl (E)-3-[(3-chloro-1H-indol-7-yl)amino]-2-cyano-3-sulfanyl-prop-2-enoate CAS Name: (E)-3-[(3-chloro-1H-indol-7-yl)amino]-2-cyano-3-mercapto-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-[(3-chloro-1H-indol-7-yl)amino]-2-cyano-3-sulfanylprop-2-enoate Traditional Name: (E)-3-[(3-chloro-1H-indol-7-yl)amino]-2-cyano-3-mercapto-acrylic acid methyl ester Formula: C13H10ClN3O2S MolecularWeight: 307.7554

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=C(NC1=CC=CC2=C1NC=C2Cl)S)C#N

Isomeric SMILES

COC(=O)/C(=C(\NC1=CC=CC2=C1NC=C2Cl)/S)/C#N

InChI

InChI=1S/C13H10ClN3O2S/c1-19-13(18)8(5-15)12(20)17-10-4-2-3-7-9(14)6-16-11(7)10/h2-4,6,16-17,20H,1H3/b12-8+