O4-ethyl O2-prop-2-enyl 5-[2-[(4-aminocarbonylphenyl)methyl-cyclopropyl-amino]ethanoylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: O4-ethyl O2-prop-2-enyl 5-[2-[(4-aminocarbonylphenyl)methyl-cyclopropyl-amino]ethanoylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: O2-allyl O4-ethyl 5-[[2-[(4-carbamoylphenyl)methyl-cyclopropyl-amino]acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[2-[(4-carbamoylphenyl)methyl-cyclopropylamino]-1-oxoethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid O4-ethyl ester O2-prop-2-enyl ester IUPAC Name: 4-O-ethyl 2-O-prop-2-enyl 5-[[2-[(4-carbamoylphenyl)methyl-cyclopropylamino]acetyl]amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[2-[(4-carbamoylbenzyl)-cyclopropyl-amino]acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylic acid O2-allyl ester O4-ethyl ester Formula: C25H29N3O6S MolecularWeight: 499.57926

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC=C)NC(=O)CN(CC2=CC=C(C=C2)C(=O)N)C3CC3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC=C)NC(=O)CN(CC2=CC=C(C=C2)C(=O)N)C3CC3

InChI

InChI=1S/C25H29N3O6S/c1-4-12-34-25(32)21-15(3)20(24(31)33-5-2)23(35-21)27-19(29)14-28(18-10-11-18)13-16-6-8-17(9-7-16)22(26)30/h4,6-9,18H,1,5,10-14H2,2-3H3,(H2,26,30)(H,27,29)