[1-[(3-ethoxycarbonyl-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1-oxidanylidene-butan-2-yl] 1,3-benzoxazole-6-carboxylate

Systemtic Name: [1-[(3-ethoxycarbonyl-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1-oxidanylidene-butan-2-yl] 1,3-benzoxazole-6-carboxylate Openeye Name: 1-[(3-ethoxycarbonyl-6-phenyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamoyl]propyl 1,3-benzoxazole-6-carboxylate CAS Name: 1,3-benzoxazole-6-carboxylic acid [1-[(3-ethoxycarbonyl-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1-oxobutan-2-yl] ester IUPAC Name: [1-[(3-ethoxycarbonyl-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1-oxobutan-2-yl] 1,3-benzoxazole-6-carboxylate Traditional Name: 1,3-benzoxazole-6-carboxylic acid 1-[(3-carbethoxy-6-phenyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamoyl]propyl ester Formula: C29H28N2O6S MolecularWeight: 532.60742

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C2=C(S1)CC(CC2)C3=CC=CC=C3)C(=O)OCC)OC(=O)C4=CC5=C(C=C4)N=CO5

Isomeric SMILES

CCC(C(=O)NC1=C(C2=C(S1)CC(CC2)C3=CC=CC=C3)C(=O)OCC)OC(=O)C4=CC5=C(C=C4)N=CO5

InChI

InChI=1S/C29H28N2O6S/c1-3-22(37-28(33)19-11-13-21-23(14-19)36-16-30-21)26(32)31-27-25(29(34)35-4-2)20-12-10-18(15-24(20)38-27)17-8-6-5-7-9-17/h5-9,11,13-14,16,18,22H,3-4,10,12,15H2,1-2H3,(H,31,32)