2-[(5E)-5-(1-heptyl-2-oxidanylidene-indol-3-ylidene)-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanoic acid

Systemtic Name: 2-[(5E)-5-(1-heptyl-2-oxidanylidene-indol-3-ylidene)-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanoic acid Openeye Name: 2-[(5E)-5-(1-heptyl-2-oxo-indolin-3-ylidene)-4-oxo-2-thioxo-thiazolidin-3-yl]acetic acid CAS Name: 2-[(5E)-5-(1-heptyl-2-oxo-3-indolylidene)-4-oxo-2-sulfanylidene-3-thiazolidinyl]acetic acid IUPAC Name: 2-[(5E)-5-(1-heptyl-2-oxoindol-3-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid Traditional Name: 2-[(5E)-5-(1-heptyl-2-keto-indolin-3-ylidene)-4-keto-2-thioxo-thiazolidin-3-yl]acetic acid Formula: C20H22N2O4S2 MolecularWeight: 418.52968

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1C2=CC=CC=C2C(=C3C(=O)N(C(=S)S3)CC(=O)O)C1=O

Isomeric SMILES

CCCCCCCN1C2=CC=CC=C2/C(=C\3/C(=O)N(C(=S)S3)CC(=O)O)/C1=O

InChI

InChI=1S/C20H22N2O4S2/c1-2-3-4-5-8-11-21-14-10-7-6-9-13(14)16(18(21)25)17-19(26)22(12-15(23)24)20(27)28-17/h6-7,9-10H,2-5,8,11-12H2,1H3,(H,23,24)/b17-16+