1-[2-[(2-methyl-1,3-benzothiazol-6-yl)amino]-2-oxidanylidene-ethyl]cyclopentane-1-carboxylate

Systemtic Name: 1-[2-[(2-methyl-1,3-benzothiazol-6-yl)amino]-2-oxidanylidene-ethyl]cyclopentane-1-carboxylate Openeye Name: 1-[2-[(2-methyl-1,3-benzothiazol-6-yl)amino]-2-oxo-ethyl]cyclopentanecarboxylate CAS Name: 1-[2-[(2-methyl-1,3-benzothiazol-6-yl)amino]-2-oxoethyl]-1-cyclopentanecarboxylate IUPAC Name: 1-[2-[(2-methyl-1,3-benzothiazol-6-yl)amino]-2-oxoethyl]cyclopentane-1-carboxylate Traditional Name: 1-[2-keto-2-[(2-methyl-1,3-benzothiazol-6-yl)amino]ethyl]cyclopentanecarboxylate Formula: C16H17N2O3S- MolecularWeight: 317.38278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(S1)C=C(C=C2)NC(=O)CC3(CCCC3)C(=O)[O-]

Isomeric SMILES

CC1=NC2=C(S1)C=C(C=C2)NC(=O)CC3(CCCC3)C(=O)[O-]

InChI

InChI=1S/C16H18N2O3S/c1-10-17-12-5-4-11(8-13(12)22-10)18-14(19)9-16(15(20)21)6-2-3-7-16/h4-5,8H,2-3,6-7,9H2,1H3,(H,18,19)(H,20,21)/p-1