2-methoxyethyl 4-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: 2-methoxyethyl 4-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: 2-methoxyethyl 4-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 4-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-keto-4-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]thiocarbamoylamino]butyric acid 2-methoxyethyl ester Formula: C22H23N3O4S2 MolecularWeight: 457.56572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=S)NC(=O)CCC(=O)OCCOC

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=S)NC(=O)CCC(=O)OCCOC

InChI

InChI=1S/C22H23N3O4S2/c1-14-3-8-17-18(13-14)31-21(24-17)15-4-6-16(7-5-15)23-22(30)25-19(26)9-10-20(27)29-12-11-28-2/h3-8,13H,9-12H2,1-2H3,(H2,23,25,26,30)