methyl 3-[2-[(5-chloranylthiophen-2-yl)methyl-prop-2-enyl-amino]ethanoylamino]-4-methyl-benzoate

Systemtic Name: methyl 3-[2-[(5-chloranylthiophen-2-yl)methyl-prop-2-enyl-amino]ethanoylamino]-4-methyl-benzoate Openeye Name: methyl 3-[[2-[allyl-[(5-chloro-2-thienyl)methyl]amino]acetyl]amino]-4-methyl-benzoate CAS Name: 3-[[2-[(5-chloro-2-thiophenyl)methyl-prop-2-enylamino]-1-oxoethyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[2-[(5-chlorothiophen-2-yl)methyl-prop-2-enylamino]acetyl]amino]-4-methylbenzoate Traditional Name: 3-[[2-[allyl-[(5-chloro-2-thienyl)methyl]amino]acetyl]amino]-4-methyl-benzoic acid methyl ester Formula: C19H21ClN2O3S MolecularWeight: 392.89964

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CN(CC=C)CC2=CC=C(S2)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CN(CC=C)CC2=CC=C(S2)Cl

InChI

InChI=1S/C19H21ClN2O3S/c1-4-9-22(11-15-7-8-17(20)26-15)12-18(23)21-16-10-14(19(24)25-3)6-5-13(16)2/h4-8,10H,1,9,11-12H2,2-3H3,(H,21,23)