ethyl 2-[2-[(5-chloranylthiophen-2-yl)methyl-prop-2-enyl-amino]ethanoylamino]-4-methyl-5-(methylcarbamoyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-[(5-chloranylthiophen-2-yl)methyl-prop-2-enyl-amino]ethanoylamino]-4-methyl-5-(methylcarbamoyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[allyl-[(5-chloro-2-thienyl)methyl]amino]acetyl]amino]-4-methyl-5-(methylcarbamoyl)thiophene-3-carboxylate CAS Name: 2-[[2-[(5-chloro-2-thiophenyl)methyl-prop-2-enylamino]-1-oxoethyl]amino]-4-methyl-5-(methylcarbamoyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[(5-chlorothiophen-2-yl)methyl-prop-2-enylamino]acetyl]amino]-4-methyl-5-(methylcarbamoyl)thiophene-3-carboxylate Traditional Name: 2-[[2-[allyl-[(5-chloro-2-thienyl)methyl]amino]acetyl]amino]-4-methyl-5-(methylcarbamoyl)thiophene-3-carboxylic acid ethyl ester Formula: C20H24ClN3O4S2 MolecularWeight: 470.00526

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)NC)NC(=O)CN(CC=C)CC2=CC=C(S2)Cl

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)NC)NC(=O)CN(CC=C)CC2=CC=C(S2)Cl

InChI

InChI=1S/C20H24ClN3O4S2/c1-5-9-24(10-13-7-8-14(21)29-13)11-15(25)23-19-16(20(27)28-6-2)12(3)17(30-19)18(26)22-4/h5,7-8H,1,6,9-11H2,2-4H3,(H,22,26)(H,23,25)