2-[2-azanyl-4-(1-methylcyclohexyl)-1,3-benzothiazol-6-yl]ethanoate; methane

Systemtic Name: 2-[2-azanyl-4-(1-methylcyclohexyl)-1,3-benzothiazol-6-yl]ethanoate; methane Openeye Name: 2-[2-amino-4-(1-methylcyclohexyl)-1,3-benzothiazol-6-yl]acetate; methane CAS Name: 2-[2-amino-4-(1-methylcyclohexyl)-1,3-benzothiazol-6-yl]acetate; methane IUPAC Name: 2-[2-amino-4-(1-methylcyclohexyl)-1,3-benzothiazol-6-yl]acetate; methane Traditional Name: 2-[2-amino-4-(1-methylcyclohexyl)-1,3-benzothiazol-6-yl]acetate; methane Formula: C17H23N2O2S- MolecularWeight: 319.44172

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Descriptors Computed from Structure

Canonical SMILES:

C.CC1(CCCCC1)C2=CC(=CC3=C2N=C(S3)N)CC(=O)[O-]

Isomeric SMILES

C.CC1(CCCCC1)C2=CC(=CC3=C2N=C(S3)N)CC(=O)[O-]

InChI

InChI=1S/C16H20N2O2S.CH4/c1-16(5-3-2-4-6-16)11-7-10(9-13(19)20)8-12-14(11)18-15(17)21-12;/h7-8H,2-6,9H2,1H3,(H2,17,18)(H,19,20);1H4/p-1