ethyl 2-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]-6,6-bis(oxidanylidene)-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxylate

Systemtic Name: ethyl 2-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]-6,6-bis(oxidanylidene)-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxylate Openeye Name: ethyl 2-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]-6,6-dioxo-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxylate CAS Name: 2-[[(E)-3-(4-nitrophenyl)-1-oxoprop-2-enyl]amino]-6,6-dioxo-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]-6,6-dioxo-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxylate Traditional Name: 6,6-diketo-2-[[(E)-3-(4-nitrophenyl)acryloyl]amino]-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxylic acid ethyl ester Formula: C19H18N2O7S2 MolecularWeight: 450.48542

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCS(=O)(=O)C2)NC(=O)C=CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCS(=O)(=O)C2)NC(=O)/C=C/C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H18N2O7S2/c1-2-28-19(23)17-14-9-10-30(26,27)11-15(14)29-18(17)20-16(22)8-5-12-3-6-13(7-4-12)21(24)25/h3-8H,2,9-11H2,1H3,(H,20,22)/b8-5+