[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl] (E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoate

Systemtic Name: [2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl] (E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoate Openeye Name: [2-oxo-2-(2-thienylmethylamino)ethyl] (E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoate CAS Name: (E)-3-(6-nitro-1,3-benzodioxol-5-yl)-2-propenoic acid [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] (E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoate Traditional Name: (E)-3-(6-nitro-1,3-benzodioxol-5-yl)acrylic acid [2-keto-2-(2-thenylamino)ethyl] ester Formula: C17H14N2O7S MolecularWeight: 390.36726

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)C=CC(=O)OCC(=O)NCC3=CC=CS3)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)/C=C/C(=O)OCC(=O)NCC3=CC=CS3)[N+](=O)[O-]

InChI

InChI=1S/C17H14N2O7S/c20-16(18-8-12-2-1-5-27-12)9-24-17(21)4-3-11-6-14-15(26-10-25-14)7-13(11)19(22)23/h1-7H,8-10H2,(H,18,20)/b4-3+