methyl 2-[[6-[3-(2-methylimidazol-1-yl)propanoylamino]-1,3-benzothiazol-2-yl]sulfanyl]ethanoate

Systemtic Name: methyl 2-[[6-[3-(2-methylimidazol-1-yl)propanoylamino]-1,3-benzothiazol-2-yl]sulfanyl]ethanoate Openeye Name: methyl 2-[[6-[3-(2-methylimidazol-1-yl)propanoylamino]-1,3-benzothiazol-2-yl]sulfanyl]acetate CAS Name: 2-[[6-[[3-(2-methyl-1-imidazolyl)-1-oxopropyl]amino]-1,3-benzothiazol-2-yl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[[6-[3-(2-methylimidazol-1-yl)propanoylamino]-1,3-benzothiazol-2-yl]sulfanyl]acetate Traditional Name: 2-[[6-[3-(2-methylimidazol-1-yl)propanoylamino]-1,3-benzothiazol-2-yl]thio]acetic acid methyl ester Formula: C17H18N4O3S2 MolecularWeight: 390.47982

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CN1CCC(=O)NC2=CC3=C(C=C2)N=C(S3)SCC(=O)OC

Isomeric SMILES

CC1=NC=CN1CCC(=O)NC2=CC3=C(C=C2)N=C(S3)SCC(=O)OC

InChI

InChI=1S/C17H18N4O3S2/c1-11-18-6-8-21(11)7-5-15(22)19-12-3-4-13-14(9-12)26-17(20-13)25-10-16(23)24-2/h3-4,6,8-9H,5,7,10H2,1-2H3,(H,19,22)