(3R)-3-(2-chloroethylcarbamoylamino)-4-oxidanylidene-5-(thiophen-3-ylmethyl)-2,3-dihydro-1,5-benzothiazepine-7-carboxamide

Systemtic Name: (3R)-3-(2-chloroethylcarbamoylamino)-4-oxidanylidene-5-(thiophen-3-ylmethyl)-2,3-dihydro-1,5-benzothiazepine-7-carboxamide Openeye Name: (3R)-3-(2-chloroethylcarbamoylamino)-4-oxo-5-(3-thienylmethyl)-2,3-dihydro-1,5-benzothiazepine-7-carboxamide CAS Name: (3R)-3-[[(2-chloroethylamino)-oxomethyl]amino]-4-oxo-5-(3-thiophenylmethyl)-2,3-dihydro-1,5-benzothiazepine-7-carboxamide IUPAC Name: (3R)-3-(2-chloroethylcarbamoylamino)-4-oxo-5-(thiophen-3-ylmethyl)-2,3-dihydro-1,5-benzothiazepine-7-carboxamide Traditional Name: (3R)-3-(2-chloroethylcarbamoylamino)-4-keto-5-(3-thenyl)-2,3-dihydro-1,5-benzothiazepine-7-carboxamide Formula: C18H19ClN4O3S2 MolecularWeight: 438.95146

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)N(C2=C(S1)C=CC(=C2)C(=O)N)CC3=CSC=C3)NC(=O)NCCCl

Isomeric SMILES

C1[C@@H](C(=O)N(C2=C(S1)C=CC(=C2)C(=O)N)CC3=CSC=C3)NC(=O)NCCCl

InChI

InChI=1S/C18H19ClN4O3S2/c19-4-5-21-18(26)22-13-10-28-15-2-1-12(16(20)24)7-14(15)23(17(13)25)8-11-3-6-27-9-11/h1-3,6-7,9,13H,4-5,8,10H2,(H2,20,24)(H2,21,22,26)/t13-/m0/s1