methyl 3-[[4-(3-ethoxycarbonylpiperidin-1-yl)carbonylphenyl]methyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxylate

Systemtic Name: methyl 3-[[4-(3-ethoxycarbonylpiperidin-1-yl)carbonylphenyl]methyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 3-[[4-(3-ethoxycarbonylpiperidine-1-carbonyl)phenyl]methyl]-4-oxo-2-thioxo-1H-quinazoline-7-carboxylate CAS Name: 3-[[4-[(3-ethoxycarbonyl-1-piperidinyl)-oxomethyl]phenyl]methyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 3-[[4-(3-ethoxycarbonylpiperidine-1-carbonyl)phenyl]methyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylate Traditional Name: 3-[4-(3-carbethoxypiperidine-1-carbonyl)benzyl]-4-keto-2-thioxo-1H-quinazoline-7-carboxylic acid methyl ester Formula: C26H27N3O6S MolecularWeight: 509.57408

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=CC=C(C=C2)CN3C(=O)C4=C(C=C(C=C4)C(=O)OC)NC3=S

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)C2=CC=C(C=C2)CN3C(=O)C4=C(C=C(C=C4)C(=O)OC)NC3=S

InChI

InChI=1S/C26H27N3O6S/c1-3-35-25(33)19-5-4-12-28(15-19)22(30)17-8-6-16(7-9-17)14-29-23(31)20-11-10-18(24(32)34-2)13-21(20)27-26(29)36/h6-11,13,19H,3-5,12,14-15H2,1-2H3,(H,27,36)