propan-2-yl 6-methyl-2-[[6-oxidanylidene-1-(2-phenoxyethyl)pyridazin-3-yl]carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: propan-2-yl 6-methyl-2-[[6-oxidanylidene-1-(2-phenoxyethyl)pyridazin-3-yl]carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: isopropyl 6-methyl-2-[[6-oxo-1-(2-phenoxyethyl)pyridazine-3-carbonyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 6-methyl-2-[[oxo-[6-oxo-1-(2-phenoxyethyl)-3-pyridazinyl]methyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 6-methyl-2-[[6-oxo-1-(2-phenoxyethyl)pyridazine-3-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[6-keto-1-(2-phenoxyethyl)pyridazine-3-carbonyl]amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid isopropyl ester Formula: C26H29N3O5S MolecularWeight: 495.59056

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)OC(C)C)NC(=O)C3=NN(C(=O)C=C3)CCOC4=CC=CC=C4

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C(=O)OC(C)C)NC(=O)C3=NN(C(=O)C=C3)CCOC4=CC=CC=C4

InChI

InChI=1S/C26H29N3O5S/c1-16(2)34-26(32)23-19-10-9-17(3)15-21(19)35-25(23)27-24(31)20-11-12-22(30)29(28-20)13-14-33-18-7-5-4-6-8-18/h4-8,11-12,16-17H,9-10,13-15H2,1-3H3,(H,27,31)