3-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxidanylidene-butyl]-6-nitro-1,3-benzoxazol-2-one

Systemtic Name: 3-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxidanylidene-butyl]-6-nitro-1,3-benzoxazol-2-one Openeye Name: 3-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxo-butyl]-6-nitro-1,3-benzoxazol-2-one CAS Name: 3-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutyl]-6-nitro-1,3-benzoxazol-2-one IUPAC Name: 3-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutyl]-6-nitro-1,3-benzoxazol-2-one Traditional Name: 3-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-keto-butyl]-6-nitro-1,3-benzoxazol-2-one Formula: C18H17N3O5S MolecularWeight: 387.40968

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1SC=C2)C(=O)CCCN3C4=C(C=C(C=C4)[N+](=O)[O-])OC3=O

Isomeric SMILES

C1CN(CC2=C1SC=C2)C(=O)CCCN3C4=C(C=C(C=C4)[N+](=O)[O-])OC3=O

InChI

InChI=1S/C18H17N3O5S/c22-17(19-8-5-16-12(11-19)6-9-27-16)2-1-7-20-14-4-3-13(21(24)25)10-15(14)26-18(20)23/h3-4,6,9-10H,1-2,5,7-8,11H2