5-[(Z)-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]carbonylamino]-C-methyl-carbonimidoyl]thiophene-2-carboxylate

Systemtic Name: 5-[(Z)-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]carbonylamino]-C-methyl-carbonimidoyl]thiophene-2-carboxylate Openeye Name: 5-[(Z)-N-[[(3R)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]amino]-C-methyl-carbonimidoyl]thiophene-2-carboxylate CAS Name: 5-[(1Z)-1-[[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-oxomethyl]hydrazinylidene]ethyl]-2-thiophenecarboxylate IUPAC Name: 5-[(Z)-N-[[(3R)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]amino]-C-methylcarbonimidoyl]thiophene-2-carboxylate Traditional Name: 5-[(Z)-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-carbonyl]amino]-C-methyl-carbonimidoyl]-2-thenoate Formula: C16H13N2O5S- MolecularWeight: 345.34982

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)C1COC2=CC=CC=C2O1)C3=CC=C(S3)C(=O)[O-]

Isomeric SMILES

C/C(=N/NC(=O)[C@H]1COC2=CC=CC=C2O1)/C3=CC=C(S3)C(=O)[O-]

InChI

InChI=1S/C16H14N2O5S/c1-9(13-6-7-14(24-13)16(20)21)17-18-15(19)12-8-22-10-4-2-3-5-11(10)23-12/h2-7,12H,8H2,1H3,(H,18,19)(H,20,21)/p-1/b17-9-/t12-/m1/s1