4-[[6-[(Z)-C-methyl-N-(thiophen-2-ylcarbonylamino)carbonimidoyl]-1,3-benzodioxol-5-yl]amino]-4-oxidanylidene-butanoate

Systemtic Name: 4-[[6-[(Z)-C-methyl-N-(thiophen-2-ylcarbonylamino)carbonimidoyl]-1,3-benzodioxol-5-yl]amino]-4-oxidanylidene-butanoate Openeye Name: 4-[[6-[(Z)-C-methyl-N-(thiophene-2-carbonylamino)carbonimidoyl]-1,3-benzodioxol-5-yl]amino]-4-oxo-butanoate CAS Name: 4-oxo-4-[[6-[(1Z)-1-[[oxo(thiophen-2-yl)methyl]hydrazinylidene]ethyl]-1,3-benzodioxol-5-yl]amino]butanoate IUPAC Name: 4-[[6-[(Z)-C-methyl-N-(thiophene-2-carbonylamino)carbonimidoyl]-1,3-benzodioxol-5-yl]amino]-4-oxobutanoate Traditional Name: 4-keto-4-[[6-[(Z)-C-methyl-N-(2-thenoylamino)carbonimidoyl]-1,3-benzodioxol-5-yl]amino]butyrate Formula: C18H16N3O6S- MolecularWeight: 402.40114

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)C1=CC=CS1)C2=CC3=C(C=C2NC(=O)CCC(=O)[O-])OCO3

Isomeric SMILES

C/C(=N/NC(=O)C1=CC=CS1)/C2=CC3=C(C=C2NC(=O)CCC(=O)[O-])OCO3

InChI

InChI=1S/C18H17N3O6S/c1-10(20-21-18(25)15-3-2-6-28-15)11-7-13-14(27-9-26-13)8-12(11)19-16(22)4-5-17(23)24/h2-3,6-8H,4-5,9H2,1H3,(H,19,22)(H,21,25)(H,23,24)/p-1/b20-10-