4-[(E)-N-[2-(1,3-benzoxazol-3-ium-2-ylsulfanyl)ethanoylamino]-C-methyl-carbonimidoyl]-2-methoxy-phenolate

Systemtic Name: 4-[(E)-N-[2-(1,3-benzoxazol-3-ium-2-ylsulfanyl)ethanoylamino]-C-methyl-carbonimidoyl]-2-methoxy-phenolate Openeye Name: 4-[(E)-N-[[2-(1,3-benzoxazol-3-ium-2-ylsulfanyl)acetyl]amino]-C-methyl-carbonimidoyl]-2-methoxy-phenolate CAS Name: 4-[(1E)-1-[[2-(1,3-benzoxazol-3-ium-2-ylthio)-1-oxoethyl]hydrazinylidene]ethyl]-2-methoxyphenolate IUPAC Name: 4-[(E)-N-[[2-(1,3-benzoxazol-3-ium-2-ylsulfanyl)acetyl]amino]-C-methylcarbonimidoyl]-2-methoxyphenolate Traditional Name: 4-[(E)-N-[[2-(1,3-benzoxazol-3-ium-2-ylthio)acetyl]amino]-C-methyl-carbonimidoyl]-2-methoxy-phenolate Formula: C18H17N3O4S MolecularWeight: 371.41028

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)CSC1=[NH+]C2=CC=CC=C2O1)C3=CC(=C(C=C3)[O-])OC

Isomeric SMILES

C/C(=N\NC(=O)CSC1=[NH+]C2=CC=CC=C2O1)/C3=CC(=C(C=C3)[O-])OC

InChI

InChI=1S/C18H17N3O4S/c1-11(12-7-8-14(22)16(9-12)24-2)20-21-17(23)10-26-18-19-13-5-3-4-6-15(13)25-18/h3-9,22H,10H2,1-2H3,(H,21,23)/b20-11+