[2-[[3-(4-methylphenyl)carbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-2-oxidanylidene-ethyl] 2-(1,2,4-triazol-1-yl)ethanoate

Systemtic Name: [2-[[3-(4-methylphenyl)carbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-2-oxidanylidene-ethyl] 2-(1,2,4-triazol-1-yl)ethanoate Openeye Name: [2-[[3-(4-methylbenzoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]amino]-2-oxo-ethyl] 2-(1,2,4-triazol-1-yl)acetate CAS Name: 2-(1,2,4-triazol-1-yl)acetic acid [2-[[3-[(4-methylphenyl)-oxomethyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[3-(4-methylbenzoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-2-oxoethyl] 2-(1,2,4-triazol-1-yl)acetate Traditional Name: 2-(1,2,4-triazol-1-yl)acetic acid [2-keto-2-[(3-p-toluoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]ethyl] ester Formula: C22H22N4O4S MolecularWeight: 438.49948

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2=C(SC3=C2CCCC3)NC(=O)COC(=O)CN4C=NC=N4

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=C(SC3=C2CCCC3)NC(=O)COC(=O)CN4C=NC=N4

InChI

InChI=1S/C22H22N4O4S/c1-14-6-8-15(9-7-14)21(29)20-16-4-2-3-5-17(16)31-22(20)25-18(27)11-30-19(28)10-26-13-23-12-24-26/h6-9,12-13H,2-5,10-11H2,1H3,(H,25,27)