ethyl 5-(2-chloranylethanoylamino)-3-(3-methylphenyl)-4-oxidanylidene-thieno[3,4-d]pyridazine-1-carboxylate

Systemtic Name: ethyl 5-(2-chloranylethanoylamino)-3-(3-methylphenyl)-4-oxidanylidene-thieno[3,4-d]pyridazine-1-carboxylate Openeye Name: ethyl 5-[(2-chloroacetyl)amino]-3-(m-tolyl)-4-oxo-thieno[3,4-d]pyridazine-1-carboxylate CAS Name: 5-[(2-chloro-1-oxoethyl)amino]-3-(3-methylphenyl)-4-oxo-1-thieno[3,4-d]pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(2-chloroacetyl)amino]-3-(3-methylphenyl)-4-oxothieno[3,4-d]pyridazine-1-carboxylate Traditional Name: 5-[(2-chloroacetyl)amino]-4-keto-3-(m-tolyl)thieno[3,4-d]pyridazine-1-carboxylic acid ethyl ester Formula: C18H16ClN3O4S MolecularWeight: 405.85534

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=O)C2=C(SC=C21)NC(=O)CCl)C3=CC=CC(=C3)C

Isomeric SMILES

CCOC(=O)C1=NN(C(=O)C2=C(SC=C21)NC(=O)CCl)C3=CC=CC(=C3)C

InChI

InChI=1S/C18H16ClN3O4S/c1-3-26-18(25)15-12-9-27-16(20-13(23)8-19)14(12)17(24)22(21-15)11-6-4-5-10(2)7-11/h4-7,9H,3,8H2,1-2H3,(H,20,23)