[2-[(4aS,8S,8aS)-2-acetamido-8-acetyloxy-6-methyl-4-oxidanylidene-3,4a,5,8-tetrahydroquinazolin-8a-yl]-2-oxidanylidene-ethyl] ethanoate

Systemtic Name: [2-[(4aS,8S,8aS)-2-acetamido-8-acetyloxy-6-methyl-4-oxidanylidene-3,4a,5,8-tetrahydroquinazolin-8a-yl]-2-oxidanylidene-ethyl] ethanoate Openeye Name: [2-[(4aS,8S,8aS)-2-acetamido-8-acetoxy-6-methyl-4-oxo-3,4a,5,8-tetrahydroquinazolin-8a-yl]-2-oxo-ethyl] acetate CAS Name: acetic acid [2-[(4aS,8S,8aS)-2-acetamido-8-acetyloxy-6-methyl-4-oxo-3,4a,5,8-tetrahydroquinazolin-8a-yl]-2-oxoethyl] ester IUPAC Name: [2-[(4aS,8S,8aS)-2-acetamido-8-acetyloxy-6-methyl-4-oxo-3,4a,5,8-tetrahydroquinazolin-8a-yl]-2-oxoethyl] acetate Traditional Name: acetic acid [2-[(4aS,8S,8aS)-2-acetamido-8-acetoxy-4-keto-6-methyl-3,4a,5,8-tetrahydroquinazolin-8a-yl]-2-keto-ethyl] ester Formula: C17H21N3O7 MolecularWeight: 379.36454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(C2(C(C1)C(=O)NC(=N2)NC(=O)C)C(=O)COC(=O)C)OC(=O)C

Isomeric SMILES

CC1=C[C@@H]([C@@]2([C@H](C1)C(=O)NC(=N2)NC(=O)C)C(=O)COC(=O)C)OC(=O)C

InChI

InChI=1S/C17H21N3O7/c1-8-5-12-15(25)19-16(18-9(2)21)20-17(12,13(24)7-26-10(3)22)14(6-8)27-11(4)23/h6,12,14H,5,7H2,1-4H3,(H2,18,19,20,21,25)/t12-,14+,17-/m1/s1