ethyl 2-(2-azanyl-1,3-thiazol-5-yl)ethanoate; 1-(1-methylbenzimidazol-2-yl)sulfanylpropan-2-one

Systemtic Name: ethyl 2-(2-azanyl-1,3-thiazol-5-yl)ethanoate; 1-(1-methylbenzimidazol-2-yl)sulfanylpropan-2-one Openeye Name: ethyl 2-(2-aminothiazol-5-yl)acetate; 1-(1-methylbenzimidazol-2-yl)sulfanylpropan-2-one CAS Name: 2-(2-amino-5-thiazolyl)acetic acid ethyl ester; 1-[(1-methyl-2-benzimidazolyl)thio]-2-propanone IUPAC Name: ethyl 2-(2-amino-1,3-thiazol-5-yl)acetate; 1-(1-methylbenzimidazol-2-yl)sulfanylpropan-2-one Traditional Name: 2-(2-aminothiazol-5-yl)acetic acid ethyl ester; 1-[(1-methylbenzimidazol-2-yl)thio]acetone Formula: C18H22N4O3S2 MolecularWeight: 406.52228

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=CN=C(S1)N.CC(=O)CSC1=NC2=CC=CC=C2N1C

Isomeric SMILES

CCOC(=O)CC1=CN=C(S1)N.CC(=O)CSC1=NC2=CC=CC=C2N1C

InChI

InChI=1S/C11H12N2OS.C7H10N2O2S/c1-8(14)7-15-11-12-9-5-3-4-6-10(9)13(11)2;1-2-11-6(10)3-5-4-9-7(8)12-5/h3-6H,7H2,1-2H3;4H,2-3H2,1H3,(H2,8,9)