methyl 2-[[2-(ethanoylsulfanylmethyl)-4-phenyl-butanoyl]-(9-ethylcarbazol-3-yl)amino]ethanoate

Systemtic Name: methyl 2-[[2-(ethanoylsulfanylmethyl)-4-phenyl-butanoyl]-(9-ethylcarbazol-3-yl)amino]ethanoate Openeye Name: methyl 2-[[2-(acetylsulfanylmethyl)-4-phenyl-butanoyl]-(9-ethylcarbazol-3-yl)amino]acetate CAS Name: 2-[[2-[(acetylthio)methyl]-1-oxo-4-phenylbutyl]-(9-ethyl-3-carbazolyl)amino]acetic acid methyl ester IUPAC Name: methyl 2-[[2-(acetylsulfanylmethyl)-4-phenylbutanoyl]-(9-ethylcarbazol-3-yl)amino]acetate Traditional Name: 2-[[2-[(acetylthio)methyl]-4-phenyl-butanoyl]-(9-ethylcarbazol-3-yl)amino]acetic acid methyl ester Formula: C30H32N2O4S MolecularWeight: 516.65108

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)N(CC(=O)OC)C(=O)C(CCC3=CC=CC=C3)CSC(=O)C)C4=CC=CC=C41

Isomeric SMILES

CCN1C2=C(C=C(C=C2)N(CC(=O)OC)C(=O)C(CCC3=CC=CC=C3)CSC(=O)C)C4=CC=CC=C41

InChI

InChI=1S/C30H32N2O4S/c1-4-31-27-13-9-8-12-25(27)26-18-24(16-17-28(26)31)32(19-29(34)36-3)30(35)23(20-37-21(2)33)15-14-22-10-6-5-7-11-22/h5-13,16-18,23H,4,14-15,19-20H2,1-3H3