(diphenylmethyl)-[2-[(3-ethoxycarbonyl-5-phenyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: (diphenylmethyl)-[2-[(3-ethoxycarbonyl-5-phenyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl]azanium Openeye Name: benzhydryl-[2-[(3-ethoxycarbonyl-5-phenyl-2-thienyl)amino]-2-oxo-ethyl]ammonium CAS Name: (diphenylmethyl)-[2-[(3-ethoxycarbonyl-5-phenyl-2-thiophenyl)amino]-2-oxoethyl]ammonium IUPAC Name: benzhydryl-[2-[(3-ethoxycarbonyl-5-phenylthiophen-2-yl)amino]-2-oxoethyl]azanium Traditional Name: benzhydryl-[2-[(3-carbethoxy-5-phenyl-2-thienyl)amino]-2-keto-ethyl]ammonium Formula: C28H27N2O3S+ MolecularWeight: 471.59058

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=O)C[NH2+]C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=O)C[NH2+]C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C28H26N2O3S/c1-2-33-28(32)23-18-24(20-12-6-3-7-13-20)34-27(23)30-25(31)19-29-26(21-14-8-4-9-15-21)22-16-10-5-11-17-22/h3-18,26,29H,2,19H2,1H3,(H,30,31)/p+1