1-[[2-methyl-5-(thiiran-2-ylmethoxycarbonylamino)phenyl]carbamoyloxy]propan-2-yl N-(3-isocyanato-4-methyl-phenyl)carbamate

Systemtic Name: 1-[[2-methyl-5-(thiiran-2-ylmethoxycarbonylamino)phenyl]carbamoyloxy]propan-2-yl N-(3-isocyanato-4-methyl-phenyl)carbamate Openeye Name: [1-methyl-2-[[2-methyl-5-(thiiran-2-ylmethoxycarbonylamino)phenyl]carbamoyloxy]ethyl] N-(3-isocyanato-4-methyl-phenyl)carbamate CAS Name: N-[3-[[2-[(3-isocyanato-4-methylanilino)-oxomethoxy]propoxy-oxomethyl]amino]-4-methylphenyl]carbamic acid 2-thiiranylmethyl ester IUPAC Name: 1-[[2-methyl-5-(thiiran-2-ylmethoxycarbonylamino)phenyl]carbamoyloxy]propan-2-yl N-(3-isocyanato-4-methylphenyl)carbamate Traditional Name: N-(3-isocyanato-4-methyl-phenyl)carbamic acid [1-methyl-2-[[2-methyl-5-(thiiran-2-ylmethoxycarbonylamino)phenyl]carbamoyloxy]ethyl] ester Formula: C24H26N4O7S MolecularWeight: 514.55084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)OCC2CS2)NC(=O)OCC(C)OC(=O)NC3=CC(=C(C=C3)C)N=C=O

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)OCC2CS2)NC(=O)OCC(C)OC(=O)NC3=CC(=C(C=C3)C)N=C=O

InChI

InChI=1S/C24H26N4O7S/c1-14-4-6-17(8-20(14)25-13-29)27-24(32)35-16(3)10-33-23(31)28-21-9-18(7-5-15(21)2)26-22(30)34-11-19-12-36-19/h4-9,16,19H,10-12H2,1-3H3,(H,26,30)(H,27,32)(H,28,31)