ethyl 3-[(5-chloranylthiophen-2-yl)methyl-prop-2-enyl-carbamoyl]-5-nitro-benzoate

Systemtic Name: ethyl 3-[(5-chloranylthiophen-2-yl)methyl-prop-2-enyl-carbamoyl]-5-nitro-benzoate Openeye Name: ethyl 3-[allyl-[(5-chloro-2-thienyl)methyl]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[(5-chloro-2-thiophenyl)methyl-prop-2-enylamino]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[(5-chlorothiophen-2-yl)methyl-prop-2-enylcarbamoyl]-5-nitrobenzoate Traditional Name: 3-[allyl-[(5-chloro-2-thienyl)methyl]carbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C18H17ClN2O5S MolecularWeight: 408.85598

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)N(CC=C)CC2=CC=C(S2)Cl)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)N(CC=C)CC2=CC=C(S2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H17ClN2O5S/c1-3-7-20(11-15-5-6-16(19)27-15)17(22)12-8-13(18(23)26-4-2)10-14(9-12)21(24)25/h3,5-6,8-10H,1,4,7,11H2,2H3