methyl 4-[(2E)-2-[1,3-bis(oxidanylidene)-1-propoxy-butan-2-ylidene]hydrazinyl]-2-isocyanatosulfonyl-benzoate

Systemtic Name: methyl 4-[(2E)-2-[1,3-bis(oxidanylidene)-1-propoxy-butan-2-ylidene]hydrazinyl]-2-isocyanatosulfonyl-benzoate Openeye Name: methyl 2-isocyanatosulfonyl-4-[(2E)-2-(2-oxo-1-propoxycarbonyl-propylidene)hydrazino]benzoate CAS Name: 4-[(2E)-2-(1,3-dioxo-1-propoxybutan-2-ylidene)hydrazinyl]-2-isocyanatosulfonylbenzoic acid methyl ester IUPAC Name: methyl 4-[(2E)-2-(1,3-dioxo-1-propoxybutan-2-ylidene)hydrazinyl]-2-isocyanatosulfonylbenzoate Traditional Name: 2-isocyanatosulfonyl-4-[(N'E)-N'-(2-keto-1-propoxycarbonyl-propylidene)hydrazino]benzoic acid methyl ester Formula: C16H17N3O8S MolecularWeight: 411.38648

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C(=NNC1=CC(=C(C=C1)C(=O)OC)S(=O)(=O)N=C=O)C(=O)C

Isomeric SMILES

CCCOC(=O)/C(=N/NC1=CC(=C(C=C1)C(=O)OC)S(=O)(=O)N=C=O)/C(=O)C

InChI

InChI=1S/C16H17N3O8S/c1-4-7-27-16(23)14(10(2)21)19-18-11-5-6-12(15(22)26-3)13(8-11)28(24,25)17-9-20/h5-6,8,18H,4,7H2,1-3H3/b19-14+