(4-oxidanylidene-4-thiophen-2-yl-butyl) 12-oxidanylidene-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxylate

Systemtic Name: (4-oxidanylidene-4-thiophen-2-yl-butyl) 12-oxidanylidene-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxylate Openeye Name: [4-oxo-4-(2-thienyl)butyl] 12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxylate CAS Name: 12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxylic acid (4-oxo-4-thiophen-2-ylbutyl) ester IUPAC Name: (4-oxo-4-thiophen-2-ylbutyl) 12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxylate Traditional Name: 12-keto-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxylic acid [4-keto-4-(2-thienyl)butyl] ester Formula: C22H22N2O4S MolecularWeight: 410.48608

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=NC3=C(C=CC(=C3)C(=O)OCCCC(=O)C4=CC=CS4)C(=O)N2CC1

Isomeric SMILES

C1CCC2=NC3=C(C=CC(=C3)C(=O)OCCCC(=O)C4=CC=CS4)C(=O)N2CC1

InChI

InChI=1S/C22H22N2O4S/c25-18(19-7-5-13-29-19)6-4-12-28-22(27)15-9-10-16-17(14-15)23-20-8-2-1-3-11-24(20)21(16)26/h5,7,9-10,13-14H,1-4,6,8,11-12H2