methyl 4-[(3R,4S)-6-azanyl-2-azanylidene-3,5-dicyano-3,4-dihydrothiopyran-4-yl]benzoate

Systemtic Name: methyl 4-[(3R,4S)-6-azanyl-2-azanylidene-3,5-dicyano-3,4-dihydrothiopyran-4-yl]benzoate Openeye Name: methyl 4-[(3R,4S)-6-amino-3,5-dicyano-2-imino-3,4-dihydrothiopyran-4-yl]benzoate CAS Name: 4-[(3R,4S)-6-amino-3,5-dicyano-2-imino-3,4-dihydrothiopyran-4-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[(3R,4S)-6-amino-3,5-dicyano-2-imino-3,4-dihydrothiopyran-4-yl]benzoate Traditional Name: 4-[(3R,4S)-6-amino-3,5-dicyano-2-imino-3,4-dihydrothiopyran-4-yl]benzoic acid methyl ester Formula: C15H12N4O2S MolecularWeight: 312.34638

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2C(C(=N)SC(=C2C#N)N)C#N

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)[C@@H]2[C@@H](C(=N)SC(=C2C#N)N)C#N

InChI

InChI=1S/C15H12N4O2S/c1-21-15(20)9-4-2-8(3-5-9)12-10(6-16)13(18)22-14(19)11(12)7-17/h2-5,10,12,18H,19H2,1H3/t10-,12+/m0/s1