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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=C(C=C1)C2C(C(=N)SC(=C2C#N)N)C#N

Isomeric SMILES

CC(=O)OC1=CC=C(C=C1)[C@@H]2[C@@H](C(=N)SC(=C2C#N)N)C#N

InChI

InChI=1S/C15H12N4O2S/c1-8(20)21-10-4-2-9(3-5-10)13-11(6-16)14(18)22-15(19)12(13)7-17/h2-5,11,13,18H,19H2,1H3/t11-,13+/m0/s1