[2-[(9-ethylcarbazol-3-yl)amino]-2-oxidanylidene-ethyl] 2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanylethanoate

Systemtic Name: [2-[(9-ethylcarbazol-3-yl)amino]-2-oxidanylidene-ethyl] 2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanylethanoate Openeye Name: [2-[(9-ethylcarbazol-3-yl)amino]-2-oxo-ethyl] 2-(4-bromo-2,5-dimethyl-phenyl)sulfanylacetate CAS Name: 2-[(4-bromo-2,5-dimethylphenyl)thio]acetic acid [2-[(9-ethyl-3-carbazolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl] 2-(4-bromo-2,5-dimethylphenyl)sulfanylacetate Traditional Name: 2-[(4-bromo-2,5-dimethyl-phenyl)thio]acetic acid [2-[(9-ethylcarbazol-3-yl)amino]-2-keto-ethyl] ester Formula: C26H25BrN2O3S MolecularWeight: 525.4573

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)NC(=O)COC(=O)CSC3=C(C=C(C(=C3)C)Br)C)C4=CC=CC=C41

Isomeric SMILES

CCN1C2=C(C=C(C=C2)NC(=O)COC(=O)CSC3=C(C=C(C(=C3)C)Br)C)C4=CC=CC=C41

InChI

InChI=1S/C26H25BrN2O3S/c1-4-29-22-8-6-5-7-19(22)20-13-18(9-10-23(20)29)28-25(30)14-32-26(31)15-33-24-12-16(2)21(27)11-17(24)3/h5-13H,4,14-15H2,1-3H3,(H,28,30)