2-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: 2-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: 2-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[(E)-3-(4-nitrophenyl)-1-oxoprop-2-enyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate IUPAC Name: 2-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[(E)-3-(4-nitrophenyl)acryloyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate Formula: C18H15N2O5S- MolecularWeight: 371.3871

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)C=CC3=CC=C(C=C3)[N+](=O)[O-])C(=O)[O-]

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)/C=C/C3=CC=C(C=C3)[N+](=O)[O-])C(=O)[O-]

InChI

InChI=1S/C18H16N2O5S/c21-15(10-7-11-5-8-12(9-6-11)20(24)25)19-17-16(18(22)23)13-3-1-2-4-14(13)26-17/h5-10H,1-4H2,(H,19,21)(H,22,23)/p-1/b10-7+