methyl 3-oxidanyl-2-[[(2Z)-2-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-3H-1,3-benzothiazol-6-yl]carbonylamino]propanoate

Systemtic Name: methyl 3-oxidanyl-2-[[(2Z)-2-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-3H-1,3-benzothiazol-6-yl]carbonylamino]propanoate Openeye Name: methyl 3-hydroxy-2-[[(2Z)-2-(6-oxocyclohexa-2,4-dien-1-ylidene)-3H-1,3-benzothiazole-6-carbonyl]amino]propanoate CAS Name: 3-hydroxy-2-[[oxo-[(2Z)-2-(6-oxo-1-cyclohexa-2,4-dienylidene)-3H-1,3-benzothiazol-6-yl]methyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-hydroxy-2-[[(2Z)-2-(6-oxocyclohexa-2,4-dien-1-ylidene)-3H-1,3-benzothiazole-6-carbonyl]amino]propanoate Traditional Name: 3-hydroxy-2-[[(2Z)-2-(6-ketocyclohexa-2,4-dien-1-ylidene)-3H-1,3-benzothiazole-6-carbonyl]amino]propionic acid methyl ester Formula: C18H16N2O5S MolecularWeight: 372.39504

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CO)NC(=O)C1=CC2=C(C=C1)NC(=C3C=CC=CC3=O)S2

Isomeric SMILES

COC(=O)C(CO)NC(=O)C1=CC2=C(C=C1)N/C(=C/3\C=CC=CC3=O)/S2

InChI

InChI=1S/C18H16N2O5S/c1-25-18(24)13(9-21)19-16(23)10-6-7-12-15(8-10)26-17(20-12)11-4-2-3-5-14(11)22/h2-8,13,20-21H,9H2,1H3,(H,19,23)/b17-11-