methyl (2Z)-2-[(3S)-3-[(2S)-butan-2-yl]-1-sulfanylidene-2,3-dihydroisoquinolin-4-ylidene]ethanoate

Systemtic Name: methyl (2Z)-2-[(3S)-3-[(2S)-butan-2-yl]-1-sulfanylidene-2,3-dihydroisoquinolin-4-ylidene]ethanoate Openeye Name: methyl (2Z)-2-[(3S)-3-[(1S)-1-methylpropyl]-1-thioxo-2,3-dihydroisoquinolin-4-ylidene]acetate CAS Name: (2Z)-2-[(3S)-3-[(2S)-butan-2-yl]-1-sulfanylidene-2,3-dihydroisoquinolin-4-ylidene]acetic acid methyl ester IUPAC Name: methyl (2Z)-2-[(3S)-3-[(2S)-butan-2-yl]-1-sulfanylidene-2,3-dihydroisoquinolin-4-ylidene]acetate Traditional Name: (2Z)-2-[(3S)-3-[(1S)-1-methylpropyl]-1-thioxo-2,3-dihydroisoquinolin-4-ylidene]acetic acid methyl ester Formula: C16H19NO2S MolecularWeight: 289.39256

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1C(=CC(=O)OC)C2=CC=CC=C2C(=S)N1

Isomeric SMILES

CC[C@H](C)[C@H]1/C(=C\C(=O)OC)/C2=CC=CC=C2C(=S)N1

InChI

InChI=1S/C16H19NO2S/c1-4-10(2)15-13(9-14(18)19-3)11-7-5-6-8-12(11)16(20)17-15/h5-10,15H,4H2,1-3H3,(H,17,20)/b13-9-/t10-,15-/m0/s1