4-[(Z)-[2-(7-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)ethanoylhydrazinylidene]methyl]benzoic acid

Systemtic Name: 4-[(Z)-[2-(7-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)ethanoylhydrazinylidene]methyl]benzoic acid Openeye Name: 4-[(Z)-[[2-(7-methyl-4-oxo-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-3-yl)acetyl]hydrazono]methyl]benzoic acid CAS Name: 4-[(Z)-[[2-(7-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)-1-oxoethyl]hydrazinylidene]methyl]benzoic acid IUPAC Name: 4-[(Z)-[[2-(7-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)acetyl]hydrazinylidene]methyl]benzoic acid Traditional Name: 4-[(Z)-[[2-(4-keto-7-methyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-3-yl)acetyl]hydrazono]methyl]benzoic acid Formula: C21H20N4O4S MolecularWeight: 424.4729

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC3=C2C(=O)N(C=N3)CC(=O)NN=CC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

CC1CCC2=C(C1)SC3=C2C(=O)N(C=N3)CC(=O)N/N=C\C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C21H20N4O4S/c1-12-2-7-15-16(8-12)30-19-18(15)20(27)25(11-22-19)10-17(26)24-23-9-13-3-5-14(6-4-13)21(28)29/h3-6,9,11-12H,2,7-8,10H2,1H3,(H,24,26)(H,28,29)/b23-9-