tert-butyl 7-(ethoxycarbonylcarbamothioylamino)-8-oxidanyl-2-oxidanylidene-1,3,4,5-tetrahydro-1-benzazepine-3-carboxylate

Systemtic Name: tert-butyl 7-(ethoxycarbonylcarbamothioylamino)-8-oxidanyl-2-oxidanylidene-1,3,4,5-tetrahydro-1-benzazepine-3-carboxylate Openeye Name: tert-butyl 7-(ethoxycarbonylcarbamothioylamino)-8-hydroxy-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-3-carboxylate CAS Name: 7-[[(ethoxycarbonylamino)-sulfanylidenemethyl]amino]-8-hydroxy-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-3-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 7-(ethoxycarbonylcarbamothioylamino)-8-hydroxy-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-3-carboxylate Traditional Name: 7-(carbethoxythiocarbamoylamino)-8-hydroxy-2-keto-1,3,4,5-tetrahydro-1-benzazepine-3-carboxylic acid tert-butyl ester Formula: C19H25N3O6S MolecularWeight: 423.4833

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC(=S)NC1=C(C=C2C(=C1)CCC(C(=O)N2)C(=O)OC(C)(C)C)O

Isomeric SMILES

CCOC(=O)NC(=S)NC1=C(C=C2C(=C1)CCC(C(=O)N2)C(=O)OC(C)(C)C)O

InChI

InChI=1S/C19H25N3O6S/c1-5-27-18(26)22-17(29)21-13-8-10-6-7-11(16(25)28-19(2,3)4)15(24)20-12(10)9-14(13)23/h8-9,11,23H,5-7H2,1-4H3,(H,20,24)(H2,21,22,26,29)