diethyl 2-[4-(hexadecylamino)thiophen-2-yl]carbonyloxy-3-oxidanyl-butanedioate

Systemtic Name: diethyl 2-[4-(hexadecylamino)thiophen-2-yl]carbonyloxy-3-oxidanyl-butanedioate Openeye Name: diethyl 2-[4-(hexadecylamino)thiophene-2-carbonyl]oxy-3-hydroxy-butanedioate CAS Name: 2-[[4-(hexadecylamino)-2-thiophenyl]-oxomethoxy]-3-hydroxybutanedioic acid diethyl ester IUPAC Name: diethyl 2-[4-(hexadecylamino)thiophene-2-carbonyl]oxy-3-hydroxybutanedioate Traditional Name: 2-[4-(cetylamino)thiophene-2-carbonyl]oxy-3-hydroxy-succinic acid diethyl ester Formula: C29H49NO7S MolecularWeight: 555.76686

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC1=CSC(=C1)C(=O)OC(C(C(=O)OCC)O)C(=O)OCC

Isomeric SMILES

CCCCCCCCCCCCCCCCNC1=CSC(=C1)C(=O)OC(C(C(=O)OCC)O)C(=O)OCC

InChI

InChI=1S/C29H49NO7S/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-30-23-21-24(38-22-23)27(32)37-26(29(34)36-6-3)25(31)28(33)35-5-2/h21-22,25-26,30-31H,4-20H2,1-3H3