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

Systemtic Name: (2Z)-2-[(3S)-3-[(2S)-butan-2-yl]-1-sulfanylidene-2,3-dihydroisoquinolin-4-ylidene]ethanoic acid Openeye Name: (2Z)-2-[(3S)-3-[(1S)-1-methylpropyl]-1-thioxo-2,3-dihydroisoquinolin-4-ylidene]acetic acid CAS Name: (2Z)-2-[(3S)-3-[(2S)-butan-2-yl]-1-sulfanylidene-2,3-dihydroisoquinolin-4-ylidene]acetic acid IUPAC Name: (2Z)-2-[(3S)-3-[(2S)-butan-2-yl]-1-sulfanylidene-2,3-dihydroisoquinolin-4-ylidene]acetic acid Traditional Name: (2Z)-2-[(3S)-3-[(1S)-1-methylpropyl]-1-thioxo-2,3-dihydroisoquinolin-4-ylidene]acetic acid Formula: C15H17NO2S MolecularWeight: 275.36598

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17NO2S/c1-3-9(2)14-12(8-13(17)18)10-6-4-5-7-11(10)15(19)16-14/h4-9,14H,3H2,1-2H3,(H,16,19)(H,17,18)/b12-8-/t9-,14-/m0/s1