(4S)-2-(1,3-benzodioxol-5-ylcarbonylamino)-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxylate

Systemtic Name: (4S)-2-(1,3-benzodioxol-5-ylcarbonylamino)-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxylate Openeye Name: (4S)-2-(1,3-benzodioxole-5-carbonylamino)-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxylate CAS Name: (4S)-2-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxylate IUPAC Name: (4S)-2-(1,3-benzodioxole-5-carbonylamino)-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxylate Traditional Name: (4S)-2-(piperonyloylamino)-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxylate Formula: C16H13N2O5S- MolecularWeight: 345.34982

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C2=C(C1)SC(=N2)NC(=O)C3=CC4=C(C=C3)OCO4)C(=O)[O-]

Isomeric SMILES

C1C[C@@H](C2=C(C1)SC(=N2)NC(=O)C3=CC4=C(C=C3)OCO4)C(=O)[O-]

InChI

InChI=1S/C16H14N2O5S/c19-14(8-4-5-10-11(6-8)23-7-22-10)18-16-17-13-9(15(20)21)2-1-3-12(13)24-16/h4-6,9H,1-3,7H2,(H,20,21)(H,17,18,19)/p-1/t9-/m0/s1