[3-[[3-ethoxycarbonyl-4-(4-phenylphenyl)thiophen-2-yl]amino]-3-oxidanylidene-propyl]-(furan-2-ylmethyl)azanium

Systemtic Name: [3-[[3-ethoxycarbonyl-4-(4-phenylphenyl)thiophen-2-yl]amino]-3-oxidanylidene-propyl]-(furan-2-ylmethyl)azanium Openeye Name: [3-[[3-ethoxycarbonyl-4-(4-phenylphenyl)-2-thienyl]amino]-3-oxo-propyl]-(2-furylmethyl)ammonium CAS Name: [3-[[3-ethoxycarbonyl-4-(4-phenylphenyl)-2-thiophenyl]amino]-3-oxopropyl]-(2-furanylmethyl)ammonium IUPAC Name: [3-[[3-ethoxycarbonyl-4-(4-phenylphenyl)thiophen-2-yl]amino]-3-oxopropyl]-(furan-2-ylmethyl)azanium Traditional Name: [3-[[3-carbethoxy-4-(4-phenylphenyl)-2-thienyl]amino]-3-keto-propyl]-(2-furfuryl)ammonium Formula: C27H27N2O4S+ MolecularWeight: 475.57928

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)C3=CC=CC=C3)NC(=O)CC[NH2+]CC4=CC=CO4

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)C3=CC=CC=C3)NC(=O)CC[NH2+]CC4=CC=CO4

InChI

InChI=1S/C27H26N2O4S/c1-2-32-27(31)25-23(21-12-10-20(11-13-21)19-7-4-3-5-8-19)18-34-26(25)29-24(30)14-15-28-17-22-9-6-16-33-22/h3-13,16,18,28H,2,14-15,17H2,1H3,(H,29,30)/p+1