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

Systemtic Name: tert-butyl 7-(ethoxycarbonylcarbamothioylamino)-8-methoxy-2-oxidanylidene-1,3,4,5-tetrahydro-1-benzazepine-3-carboxylate Openeye Name: tert-butyl 7-(ethoxycarbonylcarbamothioylamino)-8-methoxy-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-3-carboxylate CAS Name: 7-[[(ethoxycarbonylamino)-sulfanylidenemethyl]amino]-8-methoxy-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-3-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 7-(ethoxycarbonylcarbamothioylamino)-8-methoxy-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-3-carboxylate Traditional Name: 7-(carbethoxythiocarbamoylamino)-2-keto-8-methoxy-1,3,4,5-tetrahydro-1-benzazepine-3-carboxylic acid tert-butyl ester Formula: C20H27N3O6S MolecularWeight: 437.50988

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C20H27N3O6S/c1-6-28-19(26)23-18(30)22-14-9-11-7-8-12(17(25)29-20(2,3)4)16(24)21-13(11)10-15(14)27-5/h9-10,12H,6-8H2,1-5H3,(H,21,24)(H2,22,23,26,30)