ethyl 2-[2-[(2S)-2-[1,3-bis(oxidanylidene)-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]propanoyl]oxyethanoylamino]-4-(4-methoxyphenyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-[(2S)-2-[1,3-bis(oxidanylidene)-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]propanoyl]oxyethanoylamino]-4-(4-methoxyphenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[(2S)-2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)propanoyl]oxyacetyl]amino]-4-(4-methoxyphenyl)thiophene-3-carboxylate CAS Name: 2-[[2-[(2S)-2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-1-oxopropoxy]-1-oxoethyl]amino]-4-(4-methoxyphenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[(2S)-2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)propanoyl]oxyacetyl]amino]-4-(4-methoxyphenyl)thiophene-3-carboxylate Traditional Name: 2-[[2-[(2S)-2-(1,3-diketo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)propanoyl]oxyacetyl]amino]-4-(4-methoxyphenyl)thiophene-3-carboxylic acid ethyl ester Formula: C27H30N2O8S MolecularWeight: 542.6007

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)OC)NC(=O)COC(=O)C(C)N3C(=O)C4CCCCC4C3=O

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)OC)NC(=O)COC(=O)[C@H](C)N3C(=O)C4CCCCC4C3=O

InChI

InChI=1S/C27H30N2O8S/c1-4-36-27(34)22-20(16-9-11-17(35-3)12-10-16)14-38-23(22)28-21(30)13-37-26(33)15(2)29-24(31)18-7-5-6-8-19(18)25(29)32/h9-12,14-15,18-19H,4-8,13H2,1-3H3,(H,28,30)/t15-,18?,19?/m0/s1