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

Systemtic Name: ethyl 2-[2-[(5-chloranylthiophen-2-yl)methyl-prop-2-enyl-amino]ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[allyl-[(5-chloro-2-thienyl)methyl]amino]acetyl]amino]thiophene-3-carboxylate CAS Name: 2-[[2-[(5-chloro-2-thiophenyl)methyl-prop-2-enylamino]-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[(5-chlorothiophen-2-yl)methyl-prop-2-enylamino]acetyl]amino]thiophene-3-carboxylate Traditional Name: 2-[[2-[allyl-[(5-chloro-2-thienyl)methyl]amino]acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C17H19ClN2O3S2 MolecularWeight: 398.92736

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19ClN2O3S2/c1-3-8-20(10-12-5-6-14(18)25-12)11-15(21)19-16-13(7-9-24-16)17(22)23-4-2/h3,5-7,9H,1,4,8,10-11H2,2H3,(H,19,21)