methyl 3-[2-(6-azanyl-3,5-dicyano-pyridin-2-yl)sulfanylethanoylamino]-4-methyl-benzoate

Systemtic Name: methyl 3-[2-(6-azanyl-3,5-dicyano-pyridin-2-yl)sulfanylethanoylamino]-4-methyl-benzoate Openeye Name: methyl 3-[[2-[(6-amino-3,5-dicyano-2-pyridyl)sulfanyl]acetyl]amino]-4-methyl-benzoate CAS Name: 3-[[2-[(6-amino-3,5-dicyano-2-pyridinyl)thio]-1-oxoethyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[2-(6-amino-3,5-dicyanopyridin-2-yl)sulfanylacetyl]amino]-4-methylbenzoate Traditional Name: 3-[[2-[(6-amino-3,5-dicyano-2-pyridyl)thio]acetyl]amino]-4-methyl-benzoic acid methyl ester Formula: C18H15N5O3S MolecularWeight: 381.4084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CSC2=C(C=C(C(=N2)N)C#N)C#N

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CSC2=C(C=C(C(=N2)N)C#N)C#N

InChI

InChI=1S/C18H15N5O3S/c1-10-3-4-11(18(25)26-2)6-14(10)22-15(24)9-27-17-13(8-20)5-12(7-19)16(21)23-17/h3-6H,9H2,1-2H3,(H2,21,23)(H,22,24)