7-chloranyl-3-[3-[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]-3-oxidanylidene-propyl]-2-sulfanylidene-quinazolin-4-olate

Systemtic Name: 7-chloranyl-3-[3-[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]-3-oxidanylidene-propyl]-2-sulfanylidene-quinazolin-4-olate Openeye Name: 7-chloro-3-[3-[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]-3-oxo-propyl]-2-thioxo-quinazolin-4-olate CAS Name: 7-chloro-3-[3-[(2R)-2-(4-ethoxyphenyl)-1-pyrrolidinyl]-3-oxopropyl]-2-sulfanylidene-4-quinazolinolate IUPAC Name: 7-chloro-3-[3-[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]-3-oxopropyl]-2-sulfanylidenequinazolin-4-olate Traditional Name: 7-chloro-3-[3-keto-3-[(2R)-2-p-phenetylpyrrolidino]propyl]-2-thioxo-quinazolin-4-olate Formula: C23H23ClN3O3S- MolecularWeight: 456.96502

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2CCCN2C(=O)CCN3C(=C4C=CC(=CC4=NC3=S)Cl)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)[C@H]2CCCN2C(=O)CCN3C(=C4C=CC(=CC4=NC3=S)Cl)[O-]

InChI

InChI=1S/C23H24ClN3O3S/c1-2-30-17-8-5-15(6-9-17)20-4-3-12-26(20)21(28)11-13-27-22(29)18-10-7-16(24)14-19(18)25-23(27)31/h5-10,14,20,29H,2-4,11-13H2,1H3/p-1/t20-/m1/s1