ethyl 5-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]-3-methyl-4-thiocyanato-thiophene-2-carboxylate

Systemtic Name: ethyl 5-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]-3-methyl-4-thiocyanato-thiophene-2-carboxylate Openeye Name: ethyl 5-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]-3-methyl-4-thiocyanato-thiophene-2-carboxylate CAS Name: 5-[[(E)-3-(2-chlorophenyl)-1-oxoprop-2-enyl]amino]-3-methyl-4-thiocyanato-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]-3-methyl-4-thiocyanatothiophene-2-carboxylate Traditional Name: 5-[[(E)-3-(2-chlorophenyl)acryloyl]amino]-3-methyl-4-thiocyanato-thiophene-2-carboxylic acid ethyl ester Formula: C18H15ClN2O3S2 MolecularWeight: 406.9063

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)C=CC2=CC=CC=C2Cl)SC#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)/C=C/C2=CC=CC=C2Cl)SC#N)C

InChI

InChI=1S/C18H15ClN2O3S2/c1-3-24-18(23)16-11(2)15(25-10-20)17(26-16)21-14(22)9-8-12-6-4-5-7-13(12)19/h4-9H,3H2,1-2H3,(H,21,22)/b9-8+