2-[[2-hydroxyethyl-(phenylmethyl)carbamoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: 2-[[2-hydroxyethyl-(phenylmethyl)carbamoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: 2-[[benzyl(2-hydroxyethyl)carbamoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[2-hydroxyethyl-(phenylmethyl)amino]-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate IUPAC Name: 2-[[benzyl(2-hydroxyethyl)carbamoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[benzyl(2-hydroxyethyl)carbamoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate Formula: C19H21N2O4S- MolecularWeight: 373.44604

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)N(CCO)CC3=CC=CC=C3)C(=O)[O-]

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)N(CCO)CC3=CC=CC=C3)C(=O)[O-]

InChI

InChI=1S/C19H22N2O4S/c22-11-10-21(12-13-6-2-1-3-7-13)19(25)20-17-16(18(23)24)14-8-4-5-9-15(14)26-17/h1-3,6-7,22H,4-5,8-12H2,(H,20,25)(H,23,24)/p-1