2-[bis(2-hydroxyethyl)carbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: 2-[bis(2-hydroxyethyl)carbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: 2-[bis(2-hydroxyethyl)carbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[bis(2-hydroxyethyl)amino]-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate IUPAC Name: 2-[bis(2-hydroxyethyl)carbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[bis(2-hydroxyethyl)carbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate Formula: C14H19N2O5S- MolecularWeight: 327.37606

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N2O5S/c17-7-5-16(6-8-18)14(21)15-12-11(13(19)20)9-3-1-2-4-10(9)22-12/h17-18H,1-8H2,(H,15,21)(H,19,20)/p-1