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

Systemtic Name: (2Z)-2-[3-(phenylmethyl)-1-sulfanylidene-2,3-dihydroisoquinolin-4-ylidene]ethanoic acid Openeye Name: (2Z)-2-(3-benzyl-1-thioxo-2,3-dihydroisoquinolin-4-ylidene)acetic acid CAS Name: (2Z)-2-[3-(phenylmethyl)-1-sulfanylidene-2,3-dihydroisoquinolin-4-ylidene]acetic acid IUPAC Name: (2Z)-2-(3-benzyl-1-sulfanylidene-2,3-dihydroisoquinolin-4-ylidene)acetic acid Traditional Name: (2Z)-2-(3-benzyl-1-thioxo-2,3-dihydroisoquinolin-4-ylidene)acetic acid Formula: C18H15NO2S MolecularWeight: 309.3822

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2C(=CC(=O)O)C3=CC=CC=C3C(=S)N2

Isomeric SMILES

C1=CC=C(C=C1)CC2/C(=C\C(=O)O)/C3=CC=CC=C3C(=S)N2

InChI

InChI=1S/C18H15NO2S/c20-17(21)11-15-13-8-4-5-9-14(13)18(22)19-16(15)10-12-6-2-1-3-7-12/h1-9,11,16H,10H2,(H,19,22)(H,20,21)/b15-11-