methyl 4-[[2-[(5-chloranylthiophen-2-yl)methyl-prop-2-enyl-amino]ethanoylamino]methyl]benzoate

Systemtic Name: methyl 4-[[2-[(5-chloranylthiophen-2-yl)methyl-prop-2-enyl-amino]ethanoylamino]methyl]benzoate Openeye Name: methyl 4-[[[2-[allyl-[(5-chloro-2-thienyl)methyl]amino]acetyl]amino]methyl]benzoate CAS Name: 4-[[[2-[(5-chloro-2-thiophenyl)methyl-prop-2-enylamino]-1-oxoethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-[(5-chlorothiophen-2-yl)methyl-prop-2-enylamino]acetyl]amino]methyl]benzoate Traditional Name: 4-[[[2-[allyl-[(5-chloro-2-thienyl)methyl]amino]acetyl]amino]methyl]benzoic acid methyl ester Formula: C19H21ClN2O3S MolecularWeight: 392.89964

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CNC(=O)CN(CC=C)CC2=CC=C(S2)Cl

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNC(=O)CN(CC=C)CC2=CC=C(S2)Cl

InChI

InChI=1S/C19H21ClN2O3S/c1-3-10-22(12-16-8-9-17(20)26-16)13-18(23)21-11-14-4-6-15(7-5-14)19(24)25-2/h3-9H,1,10-13H2,2H3,(H,21,23)