methyl 5-[(3aS,4S,6aR)-3-[2-(4-methyl-1,3-benzodioxol-5-yl)-2-nitro-ethanoyl]-2-oxidanylidene-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoate

Systemtic Name: methyl 5-[(3aS,4S,6aR)-3-[2-(4-methyl-1,3-benzodioxol-5-yl)-2-nitro-ethanoyl]-2-oxidanylidene-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoate Openeye Name: methyl 5-[(3aS,4S,6aR)-3-[2-(4-methyl-1,3-benzodioxol-5-yl)-2-nitro-acetyl]-2-oxo-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoate CAS Name: 5-[(3aS,4S,6aR)-3-[2-(4-methyl-1,3-benzodioxol-5-yl)-2-nitro-1-oxoethyl]-2-oxo-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoic acid methyl ester IUPAC Name: methyl 5-[(3aS,4S,6aR)-3-[2-(4-methyl-1,3-benzodioxol-5-yl)-2-nitroacetyl]-2-oxo-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoate Traditional Name: 5-[(3aS,4S,6aR)-2-keto-3-[2-(4-methyl-1,3-benzodioxol-5-yl)-2-nitro-acetyl]-3a,4,6,6a-tetrahydro-1H-thien[3,4-d]imidazol-4-yl]valeric acid methyl ester Formula: C21H25N3O8S MolecularWeight: 479.5035

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OCO2)C(C(=O)N3C4C(CSC4CCCCC(=O)OC)NC3=O)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC2=C1OCO2)C(C(=O)N3[C@H]4[C@H](CS[C@H]4CCCCC(=O)OC)NC3=O)[N+](=O)[O-]

InChI

InChI=1S/C21H25N3O8S/c1-11-12(7-8-14-19(11)32-10-31-14)17(24(28)29)20(26)23-18-13(22-21(23)27)9-33-15(18)5-3-4-6-16(25)30-2/h7-8,13,15,17-18H,3-6,9-10H2,1-2H3,(H,22,27)/t13-,15-,17?,18-/m0/s1