methyl 3-[(2S)-1-[(9-ethylcarbazol-3-yl)amino]-1-oxidanylidene-propan-2-yl]sulfanylpropanoate

Systemtic Name: methyl 3-[(2S)-1-[(9-ethylcarbazol-3-yl)amino]-1-oxidanylidene-propan-2-yl]sulfanylpropanoate Openeye Name: methyl 3-[(1S)-2-[(9-ethylcarbazol-3-yl)amino]-1-methyl-2-oxo-ethyl]sulfanylpropanoate CAS Name: 3-[[(2S)-1-[(9-ethyl-3-carbazolyl)amino]-1-oxopropan-2-yl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[(2S)-1-[(9-ethylcarbazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylpropanoate Traditional Name: 3-[[(1S)-2-[(9-ethylcarbazol-3-yl)amino]-2-keto-1-methyl-ethyl]thio]propionic acid methyl ester Formula: C21H24N2O3S MolecularWeight: 384.49186

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)NC(=O)C(C)SCCC(=O)OC)C3=CC=CC=C31

Isomeric SMILES

CCN1C2=C(C=C(C=C2)NC(=O)[C@H](C)SCCC(=O)OC)C3=CC=CC=C31

InChI

InChI=1S/C21H24N2O3S/c1-4-23-18-8-6-5-7-16(18)17-13-15(9-10-19(17)23)22-21(25)14(2)27-12-11-20(24)26-3/h5-10,13-14H,4,11-12H2,1-3H3,(H,22,25)/t14-/m0/s1