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

Systemtic Name: methyl 4-[2-[(5-chloranylthiophen-2-yl)methyl-prop-2-enyl-amino]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-[allyl-[(5-chloro-2-thienyl)methyl]amino]acetyl]amino]benzoate CAS Name: 4-[[2-[(5-chloro-2-thiophenyl)methyl-prop-2-enylamino]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[(5-chlorothiophen-2-yl)methyl-prop-2-enylamino]acetyl]amino]benzoate Traditional Name: 4-[[2-[allyl-[(5-chloro-2-thienyl)methyl]amino]acetyl]amino]benzoic acid methyl ester Formula: C18H19ClN2O3S MolecularWeight: 378.87306

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19ClN2O3S/c1-3-10-21(11-15-8-9-16(19)25-15)12-17(22)20-14-6-4-13(5-7-14)18(23)24-2/h3-9H,1,10-12H2,2H3,(H,20,22)