[4-[(2-azanyl-4-oxidanylidene-1,3-thiazol-5-ylidene)methyl]-2-chloranyl-6-ethoxy-phenyl] 4-acetamidobenzenesulfonate

Systemtic Name: [4-[(2-azanyl-4-oxidanylidene-1,3-thiazol-5-ylidene)methyl]-2-chloranyl-6-ethoxy-phenyl] 4-acetamidobenzenesulfonate Openeye Name: [4-[(2-amino-4-oxo-thiazol-5-ylidene)methyl]-2-chloro-6-ethoxy-phenyl] 4-acetamidobenzenesulfonate CAS Name: 4-acetamidobenzenesulfonic acid [4-[(2-amino-4-oxo-5-thiazolylidene)methyl]-2-chloro-6-ethoxyphenyl] ester IUPAC Name: [4-[(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]-2-chloro-6-ethoxyphenyl] 4-acetamidobenzenesulfonate Traditional Name: 4-acetamidobenzenesulfonic acid [4-[(2-amino-4-keto-2-thiazolin-5-ylidene)methyl]-2-chloro-6-ethoxy-phenyl] ester Formula: C20H18ClN3O6S2 MolecularWeight: 495.95642

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=C2C(=O)N=C(S2)N)Cl)OS(=O)(=O)C3=CC=C(C=C3)NC(=O)C

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C=C2C(=O)N=C(S2)N)Cl)OS(=O)(=O)C3=CC=C(C=C3)NC(=O)C

InChI

InChI=1S/C20H18ClN3O6S2/c1-3-29-16-9-12(10-17-19(26)24-20(22)31-17)8-15(21)18(16)30-32(27,28)14-6-4-13(5-7-14)23-11(2)25/h4-10H,3H2,1-2H3,(H,23,25)(H2,22,24,26)