ethyl 4-[2-carbamothioyl-5-(thiophen-3-ylmethoxy)phenoxy]-4-(2-methylphenyl)butanoate

Systemtic Name: ethyl 4-[2-carbamothioyl-5-(thiophen-3-ylmethoxy)phenoxy]-4-(2-methylphenyl)butanoate Openeye Name: ethyl 4-[2-carbamothioyl-5-(3-thienylmethoxy)phenoxy]-4-(o-tolyl)butanoate CAS Name: 4-[2-carbamothioyl-5-(3-thiophenylmethoxy)phenoxy]-4-(2-methylphenyl)butanoic acid ethyl ester IUPAC Name: ethyl 4-[2-carbamothioyl-5-(thiophen-3-ylmethoxy)phenoxy]-4-(2-methylphenyl)butanoate Traditional Name: 4-(o-tolyl)-4-[5-(3-thenyloxy)-2-thiocarbamoyl-phenoxy]butyric acid ethyl ester Formula: C25H27NO4S2 MolecularWeight: 469.61618

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(C1=CC=CC=C1C)OC2=C(C=CC(=C2)OCC3=CSC=C3)C(=S)N

Isomeric SMILES

CCOC(=O)CCC(C1=CC=CC=C1C)OC2=C(C=CC(=C2)OCC3=CSC=C3)C(=S)N

InChI

InChI=1S/C25H27NO4S2/c1-3-28-24(27)11-10-22(20-7-5-4-6-17(20)2)30-23-14-19(8-9-21(23)25(26)31)29-15-18-12-13-32-16-18/h4-9,12-14,16,22H,3,10-11,15H2,1-2H3,(H2,26,31)