[2-[(5-chloranyl-3-ethoxycarbonyl-4-phenyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl]-(diphenylmethyl)azanium

Systemtic Name: [2-[(5-chloranyl-3-ethoxycarbonyl-4-phenyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl]-(diphenylmethyl)azanium Openeye Name: benzhydryl-[2-[(5-chloro-3-ethoxycarbonyl-4-phenyl-2-thienyl)amino]-2-oxo-ethyl]ammonium CAS Name: [2-[(5-chloro-3-ethoxycarbonyl-4-phenyl-2-thiophenyl)amino]-2-oxoethyl]-(diphenylmethyl)ammonium IUPAC Name: benzhydryl-[2-[(5-chloro-3-ethoxycarbonyl-4-phenylthiophen-2-yl)amino]-2-oxoethyl]azanium Traditional Name: benzhydryl-[2-[(3-carbethoxy-5-chloro-4-phenyl-2-thienyl)amino]-2-keto-ethyl]ammonium Formula: C28H26ClN2O3S+ MolecularWeight: 506.03564

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)Cl)NC(=O)C[NH2+]C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)Cl)NC(=O)C[NH2+]C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C28H25ClN2O3S/c1-2-34-28(33)24-23(19-12-6-3-7-13-19)26(29)35-27(24)31-22(32)18-30-25(20-14-8-4-9-15-20)21-16-10-5-11-17-21/h3-17,25,30H,2,18H2,1H3,(H,31,32)/p+1