2-[2-azanyl-4-(1-methylcyclohexyl)-1,3-benzothiazol-6-yl]ethanoic acid

Systemtic Name: 2-[2-azanyl-4-(1-methylcyclohexyl)-1,3-benzothiazol-6-yl]ethanoic acid Openeye Name: 2-[2-amino-4-(1-methylcyclohexyl)-1,3-benzothiazol-6-yl]acetic acid CAS Name: 2-[2-amino-4-(1-methylcyclohexyl)-1,3-benzothiazol-6-yl]acetic acid IUPAC Name: 2-[2-amino-4-(1-methylcyclohexyl)-1,3-benzothiazol-6-yl]acetic acid Traditional Name: 2-[2-amino-4-(1-methylcyclohexyl)-1,3-benzothiazol-6-yl]acetic acid Formula: C16H20N2O2S MolecularWeight: 304.4072

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCCC1)C2=CC(=CC3=C2N=C(S3)N)CC(=O)O

Isomeric SMILES

CC1(CCCCC1)C2=CC(=CC3=C2N=C(S3)N)CC(=O)O

InChI

InChI=1S/C16H20N2O2S/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)