ethyl 1-(benzamidosulfanylmethylamino)spiro[4H-naphthalene-3,1'-cyclohexane]-2-carboxylate

Systemtic Name: ethyl 1-(benzamidosulfanylmethylamino)spiro[4H-naphthalene-3,1'-cyclohexane]-2-carboxylate Openeye Name: ethyl 1-(benzamidosulfanylmethylamino)spiro[4H-naphthalene-3,1'-cyclohexane]-2-carboxylate CAS Name: 1-[(benzamidothio)methylamino]-2-spiro[4H-naphthalene-3,1'-cyclohexane]carboxylic acid ethyl ester IUPAC Name: ethyl 1-(benzamidosulfanylmethylamino)spiro[4H-naphthalene-3,1'-cyclohexane]-2-carboxylate Traditional Name: 1-[(benzamidothio)methylamino]spiro[4H-naphthalene-3,1'-cyclohexane]-2-carboxylic acid ethyl ester Formula: C26H30N2O3S MolecularWeight: 450.593

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2CC13CCCCC3)NCSNC(=O)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2CC13CCCCC3)NCSNC(=O)C4=CC=CC=C4

InChI

InChI=1S/C26H30N2O3S/c1-2-31-25(30)22-23(27-18-32-28-24(29)19-11-5-3-6-12-19)21-14-8-7-13-20(21)17-26(22)15-9-4-10-16-26/h3,5-8,11-14,27H,2,4,9-10,15-18H2,1H3,(H,28,29)