ethyl (E)-4-[3-(2-acetamido-3-methoxy-3-oxidanylidene-propyl)-2-phenylsulfanyl-indol-3-yl]-4-methyl-pent-2-enoate

Systemtic Name: ethyl (E)-4-[3-(2-acetamido-3-methoxy-3-oxidanylidene-propyl)-2-phenylsulfanyl-indol-3-yl]-4-methyl-pent-2-enoate Openeye Name: ethyl (E)-4-[3-(2-acetamido-3-methoxy-3-oxo-propyl)-2-phenylsulfanyl-indol-3-yl]-4-methyl-pent-2-enoate CAS Name: (E)-4-[3-(2-acetamido-3-methoxy-3-oxopropyl)-2-(phenylthio)-3-indolyl]-4-methyl-2-pentenoic acid ethyl ester IUPAC Name: ethyl (E)-4-[3-(2-acetamido-3-methoxy-3-oxopropyl)-2-phenylsulfanylindol-3-yl]-4-methylpent-2-enoate Traditional Name: (E)-4-[3-(2-acetamido-3-keto-3-methoxy-propyl)-2-(phenylthio)indol-3-yl]-4-methyl-pent-2-enoic acid ethyl ester Formula: C28H32N2O5S MolecularWeight: 508.62908

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(C)(C)C1(C2=CC=CC=C2N=C1SC3=CC=CC=C3)CC(C(=O)OC)NC(=O)C

Isomeric SMILES

CCOC(=O)/C=C/C(C)(C)C1(C2=CC=CC=C2N=C1SC3=CC=CC=C3)CC(C(=O)OC)NC(=O)C

InChI

InChI=1S/C28H32N2O5S/c1-6-35-24(32)16-17-27(3,4)28(18-23(25(33)34-5)29-19(2)31)21-14-10-11-15-22(21)30-26(28)36-20-12-8-7-9-13-20/h7-17,23H,6,18H2,1-5H3,(H,29,31)/b17-16+