butyl 2-butoxy-2-(2-phenylethanethioylamino)ethanoate

Systemtic Name: butyl 2-butoxy-2-(2-phenylethanethioylamino)ethanoate Openeye Name: butyl 2-butoxy-2-[(2-phenylethanethioyl)amino]acetate CAS Name: 2-butoxy-2-[(2-phenyl-1-sulfanylideneethyl)amino]acetic acid butyl ester IUPAC Name: butyl 2-butoxy-2-[(2-phenylethanethioyl)amino]acetate Traditional Name: 2-butoxy-2-[(2-phenylthioacetyl)amino]acetic acid butyl ester Formula: C18H27NO3S MolecularWeight: 337.47688

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(C(=O)OCCCC)NC(=S)CC1=CC=CC=C1

Isomeric SMILES

CCCCOC(C(=O)OCCCC)NC(=S)CC1=CC=CC=C1

InChI

InChI=1S/C18H27NO3S/c1-3-5-12-21-17(18(20)22-13-6-4-2)19-16(23)14-15-10-8-7-9-11-15/h7-11,17H,3-6,12-14H2,1-2H3,(H,19,23)