2-ethyl-2-[ethyl-[4-[(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]phenyl]carbonyl-amino]pentanedioic acid

Systemtic Name: 2-ethyl-2-[ethyl-[4-[(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]phenyl]carbonyl-amino]pentanedioic acid Openeye Name: 2-ethyl-2-[ethyl-[4-[(4-oxo-2-thioxo-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]benzoyl]amino]pentanedioic acid CAS Name: 2-ethyl-2-[ethyl-[oxo-[4-[(4-oxo-2-sulfanylidene-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]phenyl]methyl]amino]pentanedioic acid IUPAC Name: 2-ethyl-2-[ethyl-[4-[(4-oxo-2-sulfanylidene-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzoyl]amino]pentanedioic acid Traditional Name: 2-ethyl-2-[ethyl-[4-[(4-keto-2-thioxo-1H-quinazolin-6-yl)methyl-propargyl-amino]benzoyl]amino]glutaric acid Formula: C28H30N4O6S MolecularWeight: 550.626

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCC(=O)O)(C(=O)O)N(CC)C(=O)C1=CC=C(C=C1)N(CC#C)CC2=CC3=C(C=C2)NC(=S)NC3=O

Isomeric SMILES

CCC(CCC(=O)O)(C(=O)O)N(CC)C(=O)C1=CC=C(C=C1)N(CC#C)CC2=CC3=C(C=C2)NC(=S)NC3=O

InChI

InChI=1S/C28H30N4O6S/c1-4-15-31(17-18-7-12-22-21(16-18)24(35)30-27(39)29-22)20-10-8-19(9-11-20)25(36)32(6-3)28(5-2,26(37)38)14-13-23(33)34/h1,7-12,16H,5-6,13-15,17H2,2-3H3,(H,33,34)(H,37,38)(H2,29,30,35,39)