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

Systemtic Name: ethyl 2-[[4-(1-diazanyl-1-oxidanylidene-propan-2-yl)oxyphenyl]carbonylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[4-(2-hydrazino-1-methyl-2-oxo-ethoxy)benzoyl]amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[4-(1-hydrazinyl-1-oxopropan-2-yl)oxyphenyl]-oxomethyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[4-(1-hydrazinyl-1-oxopropan-2-yl)oxybenzoyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[4-(2-hydrazino-2-keto-1-methyl-ethoxy)benzoyl]amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C22H27N3O5S MolecularWeight: 445.53188

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)C3=CC=C(C=C3)OC(C)C(=O)NN

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)C3=CC=C(C=C3)OC(C)C(=O)NN

InChI

InChI=1S/C22H27N3O5S/c1-4-29-22(28)18-16-10-5-12(2)11-17(16)31-21(18)24-20(27)14-6-8-15(9-7-14)30-13(3)19(26)25-23/h6-9,12-13H,4-5,10-11,23H2,1-3H3,(H,24,27)(H,25,26)