[(2S)-2-[(2-carbamimidoyl-1-benzothiophen-4-yl)oxy]-2-phenyl-ethyl] N-(4-methoxyphenyl)carbamate

Systemtic Name: [(2S)-2-[(2-carbamimidoyl-1-benzothiophen-4-yl)oxy]-2-phenyl-ethyl] N-(4-methoxyphenyl)carbamate Openeye Name: [(2S)-2-(2-carbamimidoylbenzothiophen-4-yl)oxy-2-phenyl-ethyl] N-(4-methoxyphenyl)carbamate CAS Name: N-(4-methoxyphenyl)carbamic acid [(2S)-2-[(2-carbamimidoyl-1-benzothiophen-4-yl)oxy]-2-phenylethyl] ester IUPAC Name: [(2S)-2-[(2-carbamimidoyl-1-benzothiophen-4-yl)oxy]-2-phenylethyl] N-(4-methoxyphenyl)carbamate Traditional Name: N-(4-methoxyphenyl)carbamic acid [(2S)-2-(2-amidinobenzothiophen-4-yl)oxy-2-phenyl-ethyl] ester Formula: C25H23N3O4S MolecularWeight: 461.53282

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)OCC(C2=CC=CC=C2)OC3=C4C=C(SC4=CC=C3)C(=N)N

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)OC[C@H](C2=CC=CC=C2)OC3=C4C=C(SC4=CC=C3)C(=N)N

InChI

InChI=1S/C25H23N3O4S/c1-30-18-12-10-17(11-13-18)28-25(29)31-15-21(16-6-3-2-4-7-16)32-20-8-5-9-22-19(20)14-23(33-22)24(26)27/h2-14,21H,15H2,1H3,(H3,26,27)(H,28,29)/t21-/m1/s1