(E)-4-[(3-ethoxycarbonyl-4-naphthalen-2-yl-thiophen-2-yl)amino]-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (E)-4-[(3-ethoxycarbonyl-4-naphthalen-2-yl-thiophen-2-yl)amino]-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-[[3-ethoxycarbonyl-4-(2-naphthyl)-2-thienyl]amino]-4-oxo-but-2-enoic acid CAS Name: (E)-4-[[3-ethoxycarbonyl-4-(2-naphthalenyl)-2-thiophenyl]amino]-4-oxo-2-butenoic acid IUPAC Name: (E)-4-[(3-ethoxycarbonyl-4-naphthalen-2-ylthiophen-2-yl)amino]-4-oxobut-2-enoic acid Traditional Name: (E)-4-[[3-carbethoxy-4-(2-naphthyl)-2-thienyl]amino]-4-keto-but-2-enoic acid Formula: C21H17NO5S MolecularWeight: 395.42838

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC3=CC=CC=C3C=C2)NC(=O)C=CC(=O)O

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC3=CC=CC=C3C=C2)NC(=O)/C=C/C(=O)O

InChI

InChI=1S/C21H17NO5S/c1-2-27-21(26)19-16(12-28-20(19)22-17(23)9-10-18(24)25)15-8-7-13-5-3-4-6-14(13)11-15/h3-12H,2H2,1H3,(H,22,23)(H,24,25)/b10-9+