methyl 2-[[3-(6-ethylsulfanyl-11-oxidanylidene-5H-benzo[b]carbazol-11a-yl)propanoylamino]methyl]prop-2-enoate

Systemtic Name: methyl 2-[[3-(6-ethylsulfanyl-11-oxidanylidene-5H-benzo[b]carbazol-11a-yl)propanoylamino]methyl]prop-2-enoate Openeye Name: methyl 2-[[3-(6-ethylsulfanyl-11-oxo-5H-benzo[b]carbazol-11a-yl)propanoylamino]methyl]prop-2-enoate CAS Name: 2-[[[3-[6-(ethylthio)-11-oxo-5H-benzo[b]carbazol-11a-yl]-1-oxopropyl]amino]methyl]-2-propenoic acid methyl ester IUPAC Name: methyl 2-[[3-(6-ethylsulfanyl-11-oxo-5H-benzo[b]carbazol-11a-yl)propanoylamino]methyl]prop-2-enoate Traditional Name: 2-[[3-[6-(ethylthio)-11-keto-5H-benzo[b]carbazol-11a-yl]propanoylamino]methyl]acrylic acid methyl ester Formula: C26H26N2O4S MolecularWeight: 462.56064

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=C2C(C3=CC=CC=C3N2)(C(=O)C4=CC=CC=C41)CCC(=O)NCC(=C)C(=O)OC

Isomeric SMILES

CCSC1=C2C(C3=CC=CC=C3N2)(C(=O)C4=CC=CC=C41)CCC(=O)NCC(=C)C(=O)OC

InChI

InChI=1S/C26H26N2O4S/c1-4-33-22-17-9-5-6-10-18(17)24(30)26(19-11-7-8-12-20(19)28-23(22)26)14-13-21(29)27-15-16(2)25(31)32-3/h5-12,28H,2,4,13-15H2,1,3H3,(H,27,29)