[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxidanylidene-ethyl] 4-cyanobenzoate

Systemtic Name: [2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxidanylidene-ethyl] 4-cyanobenzoate Openeye Name: [2-[methyl-[(3-methyl-2-thienyl)methyl]amino]-2-oxo-ethyl] 4-cyanobenzoate CAS Name: 4-cyanobenzoic acid [2-[methyl-[(3-methyl-2-thiophenyl)methyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl] 4-cyanobenzoate Traditional Name: 4-cyanobenzoic acid [2-keto-2-[methyl-[(3-methyl-2-thienyl)methyl]amino]ethyl] ester Formula: C17H16N2O3S MolecularWeight: 328.38554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)CN(C)C(=O)COC(=O)C2=CC=C(C=C2)C#N

Isomeric SMILES

CC1=C(SC=C1)CN(C)C(=O)COC(=O)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C17H16N2O3S/c1-12-7-8-23-15(12)10-19(2)16(20)11-22-17(21)14-5-3-13(9-18)4-6-14/h3-8H,10-11H2,1-2H3