ethyl 2-[(3-isocyanato-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-methyl-amino]-2-oxidanylidene-ethanoate

Systemtic Name: ethyl 2-[(3-isocyanato-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-methyl-amino]-2-oxidanylidene-ethanoate Openeye Name: ethyl 2-[(3-isocyanato-4,5,6,7-tetrahydrobenzothiophen-2-yl)-methyl-amino]-2-oxo-acetate CAS Name: 2-[(3-isocyanato-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-methylamino]-2-oxoacetic acid ethyl ester IUPAC Name: ethyl 2-[(3-isocyanato-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-methylamino]-2-oxoacetate Traditional Name: 2-[(3-isocyanato-4,5,6,7-tetrahydrobenzothiophen-2-yl)-methyl-amino]-2-keto-acetic acid ethyl ester Formula: C14H16N2O4S MolecularWeight: 308.35284

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=O)N(C)C1=C(C2=C(S1)CCCC2)N=C=O

Isomeric SMILES

CCOC(=O)C(=O)N(C)C1=C(C2=C(S1)CCCC2)N=C=O

InChI

InChI=1S/C14H16N2O4S/c1-3-20-14(19)12(18)16(2)13-11(15-8-17)9-6-4-5-7-10(9)21-13/h3-7H2,1-2H3