ethyl (E)-4-[2-methyl-1-(phenylsulfonyl)indol-3-yl]-4-oxidanylidene-but-2-enoate

Systemtic Name: ethyl (E)-4-[2-methyl-1-(phenylsulfonyl)indol-3-yl]-4-oxidanylidene-but-2-enoate Openeye Name: ethyl (E)-4-[1-(benzenesulfonyl)-2-methyl-indol-3-yl]-4-oxo-but-2-enoate CAS Name: (E)-4-[1-(benzenesulfonyl)-2-methyl-3-indolyl]-4-oxo-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-4-[1-(benzenesulfonyl)-2-methylindol-3-yl]-4-oxobut-2-enoate Traditional Name: (E)-4-(1-besyl-2-methyl-indol-3-yl)-4-keto-but-2-enoic acid ethyl ester Formula: C21H19NO5S MolecularWeight: 397.44426

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(=O)C1=C(N(C2=CC=CC=C21)S(=O)(=O)C3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)/C=C/C(=O)C1=C(N(C2=CC=CC=C21)S(=O)(=O)C3=CC=CC=C3)C

InChI

InChI=1S/C21H19NO5S/c1-3-27-20(24)14-13-19(23)21-15(2)22(18-12-8-7-11-17(18)21)28(25,26)16-9-5-4-6-10-16/h4-14H,3H2,1-2H3/b14-13+