methyl 2-[[6-[(4-methoxycyclohexyl)carbonylamino]-1,3-benzothiazol-2-yl]sulfanyl]ethanoate

Systemtic Name: methyl 2-[[6-[(4-methoxycyclohexyl)carbonylamino]-1,3-benzothiazol-2-yl]sulfanyl]ethanoate Openeye Name: methyl 2-[[6-[(4-methoxycyclohexanecarbonyl)amino]-1,3-benzothiazol-2-yl]sulfanyl]acetate CAS Name: 2-[[6-[[(4-methoxycyclohexyl)-oxomethyl]amino]-1,3-benzothiazol-2-yl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[[6-[(4-methoxycyclohexanecarbonyl)amino]-1,3-benzothiazol-2-yl]sulfanyl]acetate Traditional Name: 2-[[6-[(4-methoxycyclohexanecarbonyl)amino]-1,3-benzothiazol-2-yl]thio]acetic acid methyl ester Formula: C18H22N2O4S2 MolecularWeight: 394.50828

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Descriptors Computed from Structure

Canonical SMILES:

COC1CCC(CC1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC(=O)OC

Isomeric SMILES

COC1CCC(CC1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC(=O)OC

InChI

InChI=1S/C18H22N2O4S2/c1-23-13-6-3-11(4-7-13)17(22)19-12-5-8-14-15(9-12)26-18(20-14)25-10-16(21)24-2/h5,8-9,11,13H,3-4,6-7,10H2,1-2H3,(H,19,22)