methyl 2-[(Z)-3-[2-ethylsulfanylethanoyl-(phenylmethyl)amino]-2-methoxycarbonyl-but-2-enyl]indole-1-carboxylate

Systemtic Name: methyl 2-[(Z)-3-[2-ethylsulfanylethanoyl-(phenylmethyl)amino]-2-methoxycarbonyl-but-2-enyl]indole-1-carboxylate Openeye Name: methyl 2-[(Z)-3-[benzyl-(2-ethylsulfanylacetyl)amino]-2-methoxycarbonyl-but-2-enyl]indole-1-carboxylate CAS Name: 2-[(Z)-3-[[2-(ethylthio)-1-oxoethyl]-(phenylmethyl)amino]-2-methoxycarbonylbut-2-enyl]-1-indolecarboxylic acid methyl ester IUPAC Name: methyl 2-[(Z)-3-[benzyl-(2-ethylsulfanylacetyl)amino]-2-methoxycarbonylbut-2-enyl]indole-1-carboxylate Traditional Name: 2-[(Z)-3-[benzyl-[2-(ethylthio)acetyl]amino]-2-carbomethoxy-but-2-enyl]indole-1-carboxylic acid methyl ester Formula: C27H30N2O5S MolecularWeight: 494.6025

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Descriptors Computed from Structure

Canonical SMILES:

CCSCC(=O)N(CC1=CC=CC=C1)C(=C(CC2=CC3=CC=CC=C3N2C(=O)OC)C(=O)OC)C

Isomeric SMILES

CCSCC(=O)N(CC1=CC=CC=C1)/C(=C(/CC2=CC3=CC=CC=C3N2C(=O)OC)\C(=O)OC)/C

InChI

InChI=1S/C27H30N2O5S/c1-5-35-18-25(30)28(17-20-11-7-6-8-12-20)19(2)23(26(31)33-3)16-22-15-21-13-9-10-14-24(21)29(22)27(32)34-4/h6-15H,5,16-18H2,1-4H3/b23-19-