[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl] 2-(9-phenethylcarbazol-2-yl)sulfanylethanoate

Systemtic Name: [2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl] 2-(9-phenethylcarbazol-2-yl)sulfanylethanoate Openeye Name: [2-(2-furylmethylamino)-2-oxo-ethyl] 2-(9-phenethylcarbazol-2-yl)sulfanylacetate CAS Name: 2-[(9-phenethyl-2-carbazolyl)thio]acetic acid [2-(2-furanylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(9-phenethylcarbazol-2-yl)sulfanylacetate Traditional Name: 2-[(9-phenethylcarbazol-2-yl)thio]acetic acid [2-(2-furfurylamino)-2-keto-ethyl] ester Formula: C29H26N2O4S MolecularWeight: 498.59274

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C3=CC=CC=C3C4=C2C=C(C=C4)SCC(=O)OCC(=O)NCC5=CC=CO5

Isomeric SMILES

C1=CC=C(C=C1)CCN2C3=CC=CC=C3C4=C2C=C(C=C4)SCC(=O)OCC(=O)NCC5=CC=CO5

InChI

InChI=1S/C29H26N2O4S/c32-28(30-18-22-9-6-16-34-22)19-35-29(33)20-36-23-12-13-25-24-10-4-5-11-26(24)31(27(25)17-23)15-14-21-7-2-1-3-8-21/h1-13,16-17H,14-15,18-20H2,(H,30,32)